(2S)-N-(4-methyl-2-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(4-methyl-2-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(4-methyl-2-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-12-8-9-14(15(10-12)23(25)26)20-17(24)16(13-6-4-3-5-7-13)27-18-21-19-11-22(18)2/h3-11,16H,1-2H3,(H,20,24)/t16-/m0/s1