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

Systemtic Name: 4-[5-(2-chloranylpyridin-4-yl)-2-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbonitrile Openeye Name: 4-[2-(benzyloxymethyl)-5-(2-chloro-4-pyridyl)-1,2,4-triazol-3-yl]pyridine-2-carbonitrile CAS Name: 4-[5-(2-chloro-4-pyridinyl)-2-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[5-(2-chloropyridin-4-yl)-2-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbonitrile Traditional Name: 4-[2-(benzoxymethyl)-5-(2-chloro-4-pyridyl)-1,2,4-triazol-3-yl]picolinonitrile Formula: C21H15ClN6O MolecularWeight: 402.8364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN6O/c22-19-11-16(6-9-25-19)20-26-21(17-7-8-24-18(10-17)12-23)28(27-20)14-29-13-15-4-2-1-3-5-15/h1-11H,13-14H2