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

Systemtic Name: 4-[2-(phenylmethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile Openeye Name: 4-[2-(benzyloxymethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]pyridine-2-carbonitrile CAS Name: 4-[2-(phenylmethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[2-(phenylmethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile Traditional Name: 4-[2-(benzoxymethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]picolinonitrile Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O/c22-13-19-12-18(8-11-24-19)21-25-20(17-6-9-23-10-7-17)26-27(21)15-28-14-16-4-2-1-3-5-16/h1-12H,14-15H2