2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile

Systemtic Name: 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenecarbonitrile Openeye Name: 2-isobutoxy-5-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]benzonitrile CAS Name: 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzonitrile IUPAC Name: 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzonitrile Traditional Name: 2-isobutoxy-5-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]benzonitrile Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC=NC=C3)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC=NC=C3)C#N

InChI

InChI=1S/C18H17N5O/c1-12(2)11-24-16-4-3-14(9-15(16)10-19)18-21-17(22-23-18)13-5-7-20-8-6-13/h3-9,12H,11H2,1-2H3,(H,21,22,23)