2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide

Systemtic Name: 2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-(phenylthio)-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-(phenylthio)-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C11H12N4OS MolecularWeight: 248.30418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NN1)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=NC=NN1)SC2=CC=CC=C2

InChI

InChI=1S/C11H12N4OS/c1-8(17-9-5-3-2-4-6-9)10(16)14-11-12-7-13-15-11/h2-8H,1H3,(H2,12,13,14,15,16)