3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H16N4OS MolecularWeight: 276.35734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCCC(=O)N

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCCC(=O)N

InChI

InChI=1S/C13H16N4OS/c1-10-15-16-13(19-8-7-12(14)18)17(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,14,18)