N-(3,5-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylacetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-acetamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-15-12-16(2)14-18(13-15)22-21(24)20(17-8-4-3-5-9-17)26-19-10-6-7-11-23(19)25/h3-14,20H,1-2H3,(H,22,24)