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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)propanamide Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)propanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-propylphenyl)propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

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