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Details

Stereochemistry RACEMIC
Molecular Formula C18H15Cl2N3O.CH4O3S
Molecular Weight 456.343
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUP-860

SMILES

CS(O)(=O)=O.OC(CN1C=NC=N1)(C(=C)C2=C(Cl)C=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=YGEWFSCDLQLUFV-UHFFFAOYSA-N
InChI=1S/C18H15Cl2N3O.CH4O3S/c1-13(16-4-2-3-5-17(16)20)18(24,10-23-12-21-11-22-23)14-6-8-15(19)9-7-14;1-5(2,3)4/h2-9,11-12,24H,1,10H2;1H3,(H,2,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
DUP-860
Code English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(4-CHLOROPHENYL)-.ALPHA.-(1-(2-CHLOROPHENYL)ETHENYL)-, METHANESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
147821-45-2
Created by admin on Tue Oct 22 12:35:29 UTC 2019 , Edited by admin on Tue Oct 22 12:35:29 UTC 2019
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