N-(4-chloranyl-3-methyl-phenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]benzamide Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O2S/c1-14-12-17(9-10-18(14)21)22-20(24)16-7-5-15(6-8-16)13-26-19-4-2-3-11-23(19)25/h2-12H,13H2,1H3,(H,22,24)