1-(4-chlorophenyl)-2-methyl-4-oxidanylidene-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-2-methyl-4-oxidanylidene-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile Openeye Name: 1-(4-chlorophenyl)-2-methyl-4-oxo-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile CAS Name: 1-(4-chlorophenyl)-6-mercapto-2-methyl-4-oxo-5-(1-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 1-(4-chlorophenyl)-2-methyl-4-oxo-5-pyridin-1-ium-1-yl-6-sulfanylpyridine-3-carbonitrile Traditional Name: 1-(4-chlorophenyl)-4-keto-6-mercapto-2-methyl-5-pyridin-1-ium-1-yl-nicotinonitrile Formula: C18H13ClN3OS+ MolecularWeight: 354.83332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(N1C2=CC=C(C=C2)Cl)S)[N+]3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)C(=C(N1C2=CC=C(C=C2)Cl)S)[N+]3=CC=CC=C3)C#N

InChI

InChI=1S/C18H12ClN3OS/c1-12-15(11-20)17(23)16(21-9-3-2-4-10-21)18(24)22(12)14-7-5-13(19)6-8-14/h2-10H,1H3/p+1