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

Systemtic Name: 2-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[6-amino-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridin-1-iumyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-1-ium-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]thio]-N-cyclohexyl-acetamide Formula: C21H21ClN5OS+ MolecularWeight: 426.94234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H20ClN5OS/c22-14-8-6-13(7-9-14)19-16(10-23)20(25)27-21(17(19)11-24)29-12-18(28)26-15-4-2-1-3-5-15/h6-9,15H,1-5,12H2,(H2,25,27)(H,26,28)/p+1