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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)acetamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H22N4OS/c1-3-5-15-8-10-17(11-9-15)21-18(25)13-24-19(22-23-20(24)26)16-7-4-6-14(2)12-16/h4,6-12H,3,5,13H2,1-2H3,(H,21,25)(H,23,26)