4-[2-(phenylmethoxymethyl)-5-(2-phenylpyridin-4-yl)-1,2,4-triazol-3-yl]pyridine-2-carbonitrile

Systemtic Name: 4-[2-(phenylmethoxymethyl)-5-(2-phenylpyridin-4-yl)-1,2,4-triazol-3-yl]pyridine-2-carbonitrile Openeye Name: 4-[2-(benzyloxymethyl)-5-(2-phenyl-4-pyridyl)-1,2,4-triazol-3-yl]pyridine-2-carbonitrile CAS Name: 4-[2-(phenylmethoxymethyl)-5-(2-phenyl-4-pyridinyl)-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[2-(phenylmethoxymethyl)-5-(2-phenylpyridin-4-yl)-1,2,4-triazol-3-yl]pyridine-2-carbonitrile Traditional Name: 4-[2-(benzoxymethyl)-5-(2-phenyl-4-pyridyl)-1,2,4-triazol-3-yl]picolinonitrile Formula: C27H20N6O MolecularWeight: 444.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C(=NC(=N2)C3=CC(=NC=C3)C4=CC=CC=C4)C5=CC(=NC=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)COCN2C(=NC(=N2)C3=CC(=NC=C3)C4=CC=CC=C4)C5=CC(=NC=C5)C#N

InChI

InChI=1S/C27H20N6O/c28-17-24-15-23(12-13-29-24)27-31-26(32-33(27)19-34-18-20-7-3-1-4-8-20)22-11-14-30-25(16-22)21-9-5-2-6-10-21/h1-16H,18-19H2