N-(3-chloranyl-4-cyano-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H10ClN5OS MolecularWeight: 307.7587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC=NN2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC=NN2

InChI

InChI=1S/C12H10ClN5OS/c1-7(20-12-15-6-16-18-12)11(19)17-9-3-2-8(5-14)10(13)4-9/h2-4,6-7H,1H3,(H,17,19)(H,15,16,18)