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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-1-ium-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(p-tolyl)pyridin-1-ium-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridin-1-iumyl]thio]-N-phenylacetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-1-ium-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)pyridin-1-ium-2-yl]thio]-N-phenyl-acetamide Formula: C22H18N5OS+ MolecularWeight: 400.47622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C22H17N5OS/c1-14-7-9-15(10-8-14)20-17(11-23)21(25)27-22(18(20)12-24)29-13-19(28)26-16-5-3-2-4-6-16/h2-10H,13H2,1H3,(H2,25,27)(H,26,28)/p+1