(2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide Openeye Name: (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide CAS Name: (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-phenylphenyl)propanamide IUPAC Name: (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide Traditional Name: (2S)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-phenylphenyl)propionamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-18(23(30)26-22-15-9-8-14-21(22)20-12-6-3-7-13-20)32-25-28-27-24(31)29(25)17-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,26,30)(H,27,31)/t18-/m0/s1