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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-(2,4-dimethoxyphenyl)acetamide Formula: C21H18N5O3S2+ MolecularWeight: 452.52932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N)OC

InChI

InChI=1S/C21H17N5O3S2/c1-28-12-5-6-15(16(8-12)29-2)25-18(27)11-31-21-14(10-23)19(17-4-3-7-30-17)13(9-22)20(24)26-21/h3-8H,11H2,1-2H3,(H2,24,26)(H,25,27)/p+1