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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C)C

InChI

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