6-cyano-1-(3-methylphenyl)-5-oxidanylidene-N,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

Systemtic Name: 6-cyano-1-(3-methylphenyl)-5-oxidanylidene-N,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide Openeye Name: 6-cyano-1-(m-tolyl)-5-oxo-N,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide CAS Name: 6-cyano-1-(3-methylphenyl)-5-oxo-N,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide IUPAC Name: 6-cyano-1-(3-methylphenyl)-5-oxo-N,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide Traditional Name: 6-cyano-5-keto-1-(m-tolyl)-N,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide Formula: C26H18N6O2 MolecularWeight: 446.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=NC(=C(C(=O)N3C(=N2)C(=O)NC4=CC=CC=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=NC(=C(C(=O)N3C(=N2)C(=O)NC4=CC=CC=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H18N6O2/c1-17-9-8-14-20(15-17)32-26-29-22(18-10-4-2-5-11-18)21(16-27)25(34)31(26)23(30-32)24(33)28-19-12-6-3-7-13-19/h2-15H,1H3,(H,28,33)