N-(3-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-(3-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(m-tolyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-benzyl-N-(m-tolyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H20N2O2S/c1-17-8-7-11-19(14-17)22(15-18-9-3-2-4-10-18)20(24)16-26-21-12-5-6-13-23(21)25/h2-14H,15-16H2,1H3