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

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2S)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-N-(p-tolyl)acetamide Formula: C20H18N2O2S MolecularWeight: 350.43412

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S/c1-15-10-12-17(13-11-15)21-20(23)19(16-7-3-2-4-8-16)25-18-9-5-6-14-22(18)24/h2-14,19H,1H3,(H,21,23)/t19-/m0/s1