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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide Formula: C21H20N7OS+ MolecularWeight: 418.4948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)C

InChI

InChI=1S/C21H19N7OS/c1-12-4-6-17(7-5-12)28-14(3)19(13(2)27-28)25-18(29)11-30-21-16(10-23)8-15(9-22)20(24)26-21/h4-8H,11H2,1-3H3,(H2,24,26)(H,25,29)/p+1