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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridin-1-iumyl]thio]-N-phenylacetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-2-yl]thio]-N-phenyl-acetamide Formula: C24H22N5O4S+ MolecularWeight: 476.52758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C24H21N5O4S/c1-31-18-9-14(10-19(32-2)22(18)33-3)21-16(11-25)23(27)29-24(17(21)12-26)34-13-20(30)28-15-7-5-4-6-8-15/h4-10H,13H2,1-3H3,(H2,27,29)(H,28,30)/p+1