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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(o-tolyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridin-1-iumyl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]thio]-N-(o-tolyl)acetamide Formula: C24H22N5O3S+ MolecularWeight: 460.52818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C24H21N5O3S/c1-14-6-4-5-7-18(14)28-21(30)13-33-24-17(12-26)22(16(11-25)23(27)29-24)15-8-9-19(31-2)20(10-15)32-3/h4-10H,13H2,1-3H3,(H2,27,29)(H,28,30)/p+1