2-methyl-2-[3-(2-methyl-3-oxidanyl-butan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile

Systemtic Name: 2-methyl-2-[3-(2-methyl-3-oxidanyl-butan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile Openeye Name: 2-[3-(2-hydroxy-1,1-dimethyl-propyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(3-hydroxy-2-methylbutan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(3-hydroxy-2-methylbutan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(2-hydroxy-1,1-dimethyl-propyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C1=CC(=CC(=C1)C(C)(C)C#N)CN2C=NC=N2)O

Isomeric SMILES

CC(C(C)(C)C1=CC(=CC(=C1)C(C)(C)C#N)CN2C=NC=N2)O

InChI

InChI=1S/C18H24N4O/c1-13(23)18(4,5)16-7-14(9-22-12-20-11-21-22)6-15(8-16)17(2,3)10-19/h6-8,11-13,23H,9H2,1-5H3