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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3)C#N

InChI

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