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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17ClN4S
Molecular Weight 320.84
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(4-CHLOROPHENYL)-3-PENTYL-7H-(1,2,4)TRIAZOLO(3,4-B)(1,3,4)THIADIAZINE

SMILES

CCCCCC1=NN=C2SCC(=NN12)C3=CC=C(Cl)C=C3

InChI

InChIKey=OAOFIXBZYWKFEB-UHFFFAOYSA-N
InChI=1S/C15H17ClN4S/c1-2-3-4-5-14-17-18-15-20(14)19-13(10-21-15)11-6-8-12(16)9-7-11/h6-9H,2-5,10H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H17ClN4S
Molecular Weight 320.84
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 12:47:01 GMT 2023
Edited
by admin
on Sat Dec 16 12:47:01 GMT 2023
Record UNII
AB4YX4X6ZQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(4-CHLOROPHENYL)-3-PENTYL-7H-(1,2,4)TRIAZOLO(3,4-B)(1,3,4)THIADIAZINE
Systematic Name English
7H-1,2,4-TRIAZOLO(3,4-B)(1,3,4)THIADIAZINE, 6-(4-CHLOROPHENYL)-3-PENTYL-
Systematic Name English
6-(4-CHLORO-PHENYL)-3-PENTYL-7H-(1,2,4)TRIAZOLO(3,4-B)(1,3,4)THIADIAZINE
Systematic Name English
NSC-373436
Code English
Code System Code Type Description
CAS
86628-12-8
Created by admin on Sat Dec 16 12:47:01 GMT 2023 , Edited by admin on Sat Dec 16 12:47:01 GMT 2023
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EPA CompTox
DTXSID80235732
Created by admin on Sat Dec 16 12:47:01 GMT 2023 , Edited by admin on Sat Dec 16 12:47:01 GMT 2023
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FDA UNII
AB4YX4X6ZQ
Created by admin on Sat Dec 16 12:47:01 GMT 2023 , Edited by admin on Sat Dec 16 12:47:01 GMT 2023
PRIMARY
NSC
373436
Created by admin on Sat Dec 16 12:47:01 GMT 2023 , Edited by admin on Sat Dec 16 12:47:01 GMT 2023
PRIMARY
PUBCHEM
341393
Created by admin on Sat Dec 16 12:47:01 GMT 2023 , Edited by admin on Sat Dec 16 12:47:01 GMT 2023
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