2-[3-(2-methyl-1-phenylmethoxy-propan-2-yl)-1H-1,2,4-triazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(2-methyl-1-phenylmethoxy-propan-2-yl)-1H-1,2,4-triazol-5-yl]ethanenitrile Openeye Name: 2-[3-(2-benzyloxy-1,1-dimethyl-ethyl)-1H-1,2,4-triazol-5-yl]acetonitrile CAS Name: 2-[3-(2-methyl-1-phenylmethoxypropan-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile IUPAC Name: 2-[3-(2-methyl-1-phenylmethoxypropan-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile Traditional Name: 2-[3-(2-benzoxy-1,1-dimethyl-ethyl)-1H-1,2,4-triazol-5-yl]acetonitrile Formula: C15H18N4O MolecularWeight: 270.32962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COCC1=CC=CC=C1)C2=NNC(=N2)CC#N

Isomeric SMILES

CC(C)(COCC1=CC=CC=C1)C2=NNC(=N2)CC#N

InChI

InChI=1S/C15H18N4O/c1-15(2,14-17-13(8-9-16)18-19-14)11-20-10-12-6-4-3-5-7-12/h3-7H,8,10-11H2,1-2H3,(H,17,18,19)