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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-[(2-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-o-anisyl-acetamide Formula: C21H18N5O2S2+ MolecularWeight: 436.52992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C21H17N5O2S2/c1-28-16-6-3-2-5-13(16)11-25-18(27)12-30-21-15(10-23)19(17-7-4-8-29-17)14(9-22)20(24)26-21/h2-8H,11-12H2,1H3,(H2,24,26)(H,25,27)/p+1