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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC(=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC(=C3)C(C)C

InChI

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