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

Systemtic Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-methyl-5-(p-tolyl)-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=CC=C(C=C1)C2=NN=C(N2C)SCCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCC(=O)N

InChI

InChI=1S/C13H16N4OS/c1-9-3-5-10(6-4-9)12-15-16-13(17(12)2)19-8-7-11(14)18/h3-6H,7-8H2,1-2H3,(H2,14,18)