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

Systemtic Name: N-(4-tert-butylphenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-22(2,3)17-6-8-18(9-7-17)24-20(26)19-5-4-12-23-21(19)28-15-16-10-13-25(27)14-11-16/h4-14H,15H2,1-3H3,(H,24,26)