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

Systemtic Name: 2-[3-(hydroxymethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-(hydroxymethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(hydroxymethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(hydroxymethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 2-methyl-2-[3-methylol-5-(1,2,4-triazol-1-ylmethyl)phenyl]propionitrile Formula: C14H16N4O MolecularWeight: 256.30304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O/c1-14(2,8-15)13-4-11(3-12(5-13)7-19)6-18-10-16-9-17-18/h3-5,9-10,19H,6-7H2,1-2H3