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

Systemtic Name: (2S)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1S[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H24N4O3S/c1-3-4-13-26-21(29)24-25-22(26)30-19(16-9-6-5-7-10-16)20(28)23-18-12-8-11-17(14-18)15(2)27/h5-12,14,19H,3-4,13H2,1-2H3,(H,23,28)(H,24,29)/t19-/m0/s1