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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C21H17N5O2S2/c1-2-28-14-6-3-5-13(9-14)25-18(27)12-30-21-16(11-23)19(17-7-4-8-29-17)15(10-22)20(24)26-21/h3-9H,2,12H2,1H3,(H2,24,26)(H,25,27)/p+1