2-[3-(2,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-(2,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(2,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(2,4-dimethylphenyl)-1-methyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(2,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]acetonitrile Formula: C14H15N3 MolecularWeight: 225.289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2CC#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2CC#N)C)C

InChI

InChI=1S/C14H15N3/c1-10-4-5-13(11(2)8-10)14-12(6-7-15)9-17(3)16-14/h4-5,8-9H,6H2,1-3H3