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

Systemtic Name: N-(4-butan-2-ylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-sec-butylphenyl)propanamide CAS Name: N-(4-butan-2-ylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-butan-2-ylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-sec-butylphenyl)propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-4-16(3)17-8-10-19(11-9-17)23-20(27)12-13-26-21(24-25-22(26)28)18-7-5-6-15(2)14-18/h5-11,14,16H,4,12-13H2,1-3H3,(H,23,27)(H,25,28)