1-[2-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]propan-2-one

Systemtic Name: 1-[2-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]propan-2-one Openeye Name: 1-[2-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-5-yl]propan-2-one CAS Name: 1-[2-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]-2-propanone IUPAC Name: 1-[2-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]propan-2-one Traditional Name: 1-[2-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-5-yl]acetone Formula: C12H13N3OS MolecularWeight: 247.31612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=S)N=C(N2)CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=S)N=C(N2)CC(=O)C

InChI

InChI=1S/C12H13N3OS/c1-8-3-5-10(6-4-8)15-12(17)13-11(14-15)7-9(2)16/h3-6H,7H2,1-2H3,(H,13,14,17)