2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-enylacetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C14H16N4OS MolecularWeight: 288.36804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC=C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC=C

InChI

InChI=1S/C14H16N4OS/c1-3-7-15-12(19)9-18-13(16-17-14(18)20)11-6-4-5-10(2)8-11/h3-6,8H,1,7,9H2,2H3,(H,15,19)(H,17,20)