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

Systemtic Name: 2-[3-(cyanomethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-(cyanomethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(cyanomethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(cyanomethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(cyanomethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile Formula: C15H15N5 MolecularWeight: 265.3131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5/c1-15(2,9-17)14-6-12(3-4-16)5-13(7-14)8-20-11-18-10-19-20/h5-7,10-11H,3,8H2,1-2H3