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

Systemtic Name: N-(phenylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-benzyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-(phenylmethyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-benzyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-benzyl-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H14N4OS MolecularWeight: 262.33076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC=NN2

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NC=NN2

InChI

InChI=1S/C12H14N4OS/c1-9(18-12-14-8-15-16-12)11(17)13-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,13,17)(H,14,15,16)