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

Systemtic Name: (2S)-N-(methylcarbamoyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(methylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(methylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(methylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S/c1-21-18(27)22-17(26)16(15-10-6-3-7-11-15)29-20-24-23-19(28)25(20)13-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,23,28)(H2,21,22,26,27)/t16-/m0/s1