N-(2,3-dihydro-1H-inden-5-yl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-indan-5-yl-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-indan-5-yl-2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C21H19N3O2S/c25-20(23-18-7-6-16-3-1-4-17(16)13-18)19-5-2-10-22-21(19)27-14-15-8-11-24(26)12-9-15/h2,5-13H,1,3-4,14H2,(H,23,25)