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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonyl-ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-nonyl-acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonylacetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonylacetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-nonyl-acetamide Formula: C20H30N4OS MolecularWeight: 374.5434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCCCCCNC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H30N4OS/c1-3-4-5-6-7-8-9-13-21-18(25)15-24-19(22-23-20(24)26)17-12-10-11-16(2)14-17/h10-12,14H,3-9,13,15H2,1-2H3,(H,21,25)(H,23,26)