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

Systemtic Name: 2-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[6-amino-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridin-1-iumyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-1-ium-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C21H14ClFN5OS+ MolecularWeight: 438.885163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)N)C#N)Cl

InChI

InChI=1S/C21H13ClFN5OS/c22-13-3-1-12(2-4-13)19-16(9-24)20(26)28-21(17(19)10-25)30-11-18(29)27-15-7-5-14(23)6-8-15/h1-8H,11H2,(H2,26,28)(H,27,29)/p+1