N-(3-cyanophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(3-cyanophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(3-cyanophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-(3-cyanophenyl)-3-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(3-cyanophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(3-cyanophenyl)-3-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCSC2=NC=NN2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCSC2=NC=NN2)C#N

InChI

InChI=1S/C12H11N5OS/c13-7-9-2-1-3-10(6-9)16-11(18)4-5-19-12-14-8-15-17-12/h1-3,6,8H,4-5H2,(H,16,18)(H,14,15,17)