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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C19H12ClFN5OS2+ MolecularWeight: 444.912883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)F)Cl)N)C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)F)Cl)N)C#N

InChI

InChI=1S/C19H11ClFN5OS2/c20-13-6-10(3-4-14(13)21)25-16(27)9-29-19-12(8-23)17(15-2-1-5-28-15)11(7-22)18(24)26-19/h1-6H,9H2,(H2,24,26)(H,25,27)/p+1