2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-chlorophenyl)ethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridin-1-iumyl]thio]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]thio]-N-(4-chlorophenyl)acetamide Formula: C22H17ClN5O2S+ MolecularWeight: 450.92068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C22H16ClN5O2S/c1-30-16-8-2-13(3-9-16)20-17(10-24)21(26)28-22(18(20)11-25)31-12-19(29)27-15-6-4-14(23)5-7-15/h2-9H,12H2,1H3,(H2,26,28)(H,27,29)/p+1