4-(4-fluorophenyl)-2-oxidanylidene-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(4-fluorophenyl)-2-oxidanylidene-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(4-fluorophenyl)-2-oxo-3-[4-(4-pyridyl)pyridin-1-ium-1-yl]-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(4-fluorophenyl)-6-mercapto-2-oxo-3-(4-pyridin-4-yl-1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(4-fluorophenyl)-2-oxo-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(4-fluorophenyl)-2-keto-6-mercapto-3-[4-(4-pyridyl)pyridin-1-ium-1-yl]-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C22H16FN4OS+ MolecularWeight: 403.452043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=O)NC(=C2C#N)S)[N+]3=CC=C(C=C3)C4=CC=NC=C4)F

Isomeric SMILES

C1=CC(=CC=C1C2C(C(=O)NC(=C2C#N)S)[N+]3=CC=C(C=C3)C4=CC=NC=C4)F

InChI

InChI=1S/C22H15FN4OS/c23-17-3-1-16(2-4-17)19-18(13-24)22(29)26-21(28)20(19)27-11-7-15(8-12-27)14-5-9-25-10-6-14/h1-12,19-20H,(H-,26,28,29)/p+1