[(E)-N-(4,5-diphenyl-1,2,3-triazol-1-yl)-C-pyridin-3-yl-carbonimidoyl] pyridine-3-carboxylate

Systemtic Name: [(E)-N-(4,5-diphenyl-1,2,3-triazol-1-yl)-C-pyridin-3-yl-carbonimidoyl] pyridine-3-carboxylate Openeye Name: [(E)-N-(4,5-diphenyltriazol-1-yl)-C-(3-pyridyl)carbonimidoyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(E)-(4,5-diphenyl-1-triazolyl)imino-(3-pyridinyl)methyl] ester IUPAC Name: [(E)-N-(4,5-diphenyltriazol-1-yl)-C-pyridin-3-ylcarbonimidoyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(E)-N-(4,5-diphenyltriazol-1-yl)-C-(3-pyridyl)carbonimidoyl] ester Formula: C26H18N6O2 MolecularWeight: 446.46012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=N2)N=C(C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=N2)/N=C(\C3=CN=CC=C3)/OC(=O)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H18N6O2/c33-26(22-14-8-16-28-18-22)34-25(21-13-7-15-27-17-21)30-32-24(20-11-5-2-6-12-20)23(29-31-32)19-9-3-1-4-10-19/h1-18H/b30-25+