2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(phenylcarbonyl)phenyl]ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-(2-benzoylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-benzoylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-benzoylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-benzoylphenyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-2-3-13-25-20(28)23-24-21(25)29-14-18(26)22-17-12-8-7-11-16(17)19(27)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,22,26)(H,23,28)