(2S)-N-(4-methyl-2-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: (2S)-N-(4-methyl-2-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(4-methyl-2-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-acetamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-14-10-11-16(17(13-14)23(26)27)21-20(24)19(15-7-3-2-4-8-15)28-18-9-5-6-12-22(18)25/h2-13,19H,1H3,(H,21,24)/t19-/m0/s1