N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)propanamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]propionamide Formula: C13H16N4OS MolecularWeight: 276.35734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN1C(=NN=C1SCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)NN1C(=NN=C1SCC2=CC=CC=C2)C

InChI

InChI=1S/C13H16N4OS/c1-3-12(18)16-17-10(2)14-15-13(17)19-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,18)