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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C19H13N6O3S2+ MolecularWeight: 437.47492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N6O3S2/c20-8-13-17(15-5-2-6-29-15)14(9-21)19(24-18(13)22)30-10-16(26)23-11-3-1-4-12(7-11)25(27)28/h1-7H,10H2,(H2,22,24)(H,23,26)/p+1