2-(3-methylbutoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzenecarbonitrile

Systemtic Name: 2-(3-methylbutoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 2-isopentyloxy-5-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]benzonitrile CAS Name: 2-(3-methylbutoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 2-(3-methylbutoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 2-isoamoxy-5-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]benzonitrile Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCCC(C)C)C#N

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCCC(C)C)C#N

InChI

InChI=1S/C20H21N5O/c1-13(2)7-9-26-18-5-4-15(11-17(18)12-21)19-23-20(25-24-19)16-6-8-22-14(3)10-16/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,23,24,25)