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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridin-1-iumyl]thio]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-1-ium-2-yl]thio]-N-(2,4-dimethylphenyl)acetamide Formula: C25H24N5O3S+ MolecularWeight: 474.55476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)OC)OC)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)OC)OC)C#N)C

InChI

InChI=1S/C25H23N5O3S/c1-14-5-7-19(15(2)9-14)29-22(31)13-34-25-18(12-27)23(17(11-26)24(28)30-25)16-6-8-20(32-3)21(10-16)33-4/h5-10H,13H2,1-4H3,(H2,28,30)(H,29,31)/p+1