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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(phenylmethyl)-N-propyl-ethanamide Openeye Name: N-benzyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-propyl-acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(phenylmethyl)-N-propylacetamide IUPAC Name: N-benzyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-propylacetamide Traditional Name: N-benzyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-propyl-acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-3-12-24(14-17-9-5-4-6-10-17)19(26)15-25-20(22-23-21(25)27)18-11-7-8-16(2)13-18/h4-11,13H,3,12,14-15H2,1-2H3,(H,23,27)