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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C25H23N5O3S/c1-4-15-7-5-6-8-19(15)29-22(31)14-34-25-18(13-27)23(17(12-26)24(28)30-25)16-9-10-20(32-2)21(11-16)33-3/h5-11H,4,14H2,1-3H3,(H2,28,30)(H,29,31)/p+1