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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CCSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCSC2=NC=NN2

InChI

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