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Details

Stereochemistry ACHIRAL
Molecular Formula C16H10ClN3OS3
Molecular Weight 391.918
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((1,3-BENZOXAZOL-2-YLTHIO)METHYL)-5-(4-CHLOROPHENYL)-1,3,4-THIADIAZOLE-2(3H)-THIONE

SMILES

ClC1=CC=C(C=C1)C2=NN(CSC3=NC4=CC=CC=C4O3)C(=S)S2

InChI

InChIKey=IMZWTCDBEGVVHZ-UHFFFAOYSA-N
InChI=1S/C16H10ClN3OS3/c17-11-7-5-10(6-8-11)14-19-20(16(22)24-14)9-23-15-18-12-3-1-2-4-13(12)21-15/h1-8H,9H2

HIDE SMILES / InChI

Molecular Formula C16H10ClN3OS3
Molecular Weight 391.918
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 12:57:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:57 GMT 2023
Record UNII
CZ22EK3DYR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((1,3-BENZOXAZOL-2-YLTHIO)METHYL)-5-(4-CHLOROPHENYL)-1,3,4-THIADIAZOLE-2(3H)-THIONE
Systematic Name English
1,3,4-Thiadiazole-2(3H)-thione, 3-[(2-benzoxazolylthio)methyl]-5-(4-chlorophenyl)-
Systematic Name English
NSC-373968
Code English
3-[(2-Benzoxazolylthio)methyl]-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione
Systematic Name English
3-((Benzo[d]oxazol-2-ylthio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione
Systematic Name English
Code System Code Type Description
FDA UNII
CZ22EK3DYR
Created by admin on Sat Dec 16 12:57:57 GMT 2023 , Edited by admin on Sat Dec 16 12:57:57 GMT 2023
PRIMARY
PUBCHEM
341583
Created by admin on Sat Dec 16 12:57:57 GMT 2023 , Edited by admin on Sat Dec 16 12:57:57 GMT 2023
PRIMARY
NSC
373968
Created by admin on Sat Dec 16 12:57:57 GMT 2023 , Edited by admin on Sat Dec 16 12:57:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID50233568
Created by admin on Sat Dec 16 12:57:57 GMT 2023 , Edited by admin on Sat Dec 16 12:57:57 GMT 2023
PRIMARY
CAS
84586-83-4
Created by admin on Sat Dec 16 12:57:57 GMT 2023 , Edited by admin on Sat Dec 16 12:57:57 GMT 2023
PRIMARY