2-azanyl-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C23H18ClN4O3S+ MolecularWeight: 465.93202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N)OC

InChI

InChI=1S/C23H17ClN4O3S/c1-30-19-8-5-14(9-20(19)31-2)21-16(10-25)22(27)28-23(17(21)11-26)32-12-18(29)13-3-6-15(24)7-4-13/h3-9H,12H2,1-2H3,(H2,27,28)/p+1