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

Systemtic Name: 2-azanyl-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C22H16ClN4O2S+ MolecularWeight: 435.90604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C22H15ClN4O2S/c1-29-19-5-3-2-4-15(19)20-16(10-24)21(26)27-22(17(20)11-25)30-12-18(28)13-6-8-14(23)9-7-13/h2-9H,12H2,1H3,(H2,26,27)/p+1