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

Systemtic Name: 2-[1-(2-chlorophenyl)-3-methyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-(2-chlorophenyl)-3-methyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[1-(2-chlorophenyl)-3-methyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]acetonitrile Traditional Name: 2-[1-(2-chlorophenyl)-3-methyl-pyrazol-4-yl]acetonitrile Formula: C12H10ClN3 MolecularWeight: 231.6809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CC#N)C2=CC=CC=C2Cl

Isomeric SMILES

CC1=NN(C=C1CC#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C12H10ClN3/c1-9-10(6-7-14)8-16(15-9)12-5-3-2-4-11(12)13/h2-5,8H,6H2,1H3