N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5OS/c1-8(19-12-14-7-15-17-12)11(18)16-10-4-2-9(6-13)3-5-10/h2-5,7-8H,1H3,(H,16,18)(H,14,15,17)