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

Systemtic Name: 3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(phenylcarbonyl)phenyl]propanamide Openeye Name: N-(2-benzoylphenyl)-3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-benzoylphenyl)-3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-benzoylphenyl)-3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-benzoylphenyl)-3-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-2-3-14-26-21(29)24-25-22(26)30-15-13-19(27)23-18-12-8-7-11-17(18)20(28)16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,23,27)(H,24,29)