4H-PYRIDO(4',3':4,5)THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-9(8H)-CARBOTHIOAMIDE, 7,10-DIHYDRO-6-(2-CHLOROPHENYL)-1-METHYL-N-(1-METHYLETHYL)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23ClN6S2
Molecular Weight	471.041
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4H-PYRIDO(4',3':4,5)THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-9(8H)-CARBOTHIOAMIDE, 7,10-DIHYDRO-6-(2-CHLOROPHENYL)-1-METHYL-N-(1-METHYLETHYL)-

Structure Search

SMILES

CC(C)NC(=S)N1CCC2=C(C1)SC3=C2C(=NCC4=NN=C(C)N34)C5=CC=CC=C5Cl

InChI

InChIKey=YFURNKUHTQBWJK-UHFFFAOYSA-N

InChI=1S/C22H23ClN6S2/c1-12(2)25-22(30)28-9-8-15-17(11-28)31-21-19(15)20(14-6-4-5-7-16(14)23)24-10-18-27-26-13(3)29(18)21/h4-7,12H,8-11H2,1-3H3,(H,25,30)

HIDE SMILES / InChI

Molecular Formula	C22H23ClN6S2
Molecular Weight	471.041
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:34:56 GMT 2023` Edited by `admin` on `Sat Dec 16 18:34:56 GMT 2023`
Record UNII	JQ49AP2PMY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4H-PYRIDO(4',3':4,5)THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-9(8H)-CARBOTHIOAMIDE, 7,10-DIHYDRO-6-(2-CHLOROPHENYL)-1-METHYL-N-(1-METHYLETHYL)-

Systematic Name

English

6-(2-CHLOROPHENYL)-7,10-DIHYDRO-1-METHYL-N-(1-METHYLETHYL)-4H-PYRIDO(4',3':4,5)THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-9(8H)-CARBOTHIOAMIDE

Common Name

English

BN-50766

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40157547

Created by admin on Sat Dec 16 18:34:56 GMT 2023 , Edited by admin on Sat Dec 16 18:34:56 GMT 2023

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PUBCHEM

3076769

Created by admin on Sat Dec 16 18:34:56 GMT 2023 , Edited by admin on Sat Dec 16 18:34:56 GMT 2023

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CAS

132418-30-5

Created by admin on Sat Dec 16 18:34:56 GMT 2023 , Edited by admin on Sat Dec 16 18:34:56 GMT 2023

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FDA UNII

JQ49AP2PMY

Created by admin on Sat Dec 16 18:34:56 GMT 2023 , Edited by admin on Sat Dec 16 18:34:56 GMT 2023

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