2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Openeye Name: N-(3-isopropylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-N-(3-propan-2-ylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Traditional Name: N-m-cumenyl-2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C21H21N3O2S/c1-15(2)17-5-3-6-18(13-17)23-20(25)19-7-4-10-22-21(19)27-14-16-8-11-24(26)12-9-16/h3-13,15H,14H2,1-2H3,(H,23,25)