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

Systemtic Name: 2-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-methyl-3-(p-tolyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[1-methyl-3-(4-methylphenyl)-4-pyrazolyl]acetonitrile IUPAC Name: 2-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]acetonitrile Traditional Name: 2-[1-methyl-3-(p-tolyl)pyrazol-4-yl]acetonitrile Formula: C13H13N3 MolecularWeight: 211.26242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3/c1-10-3-5-11(6-4-10)13-12(7-8-14)9-16(2)15-13/h3-6,9H,7H2,1-2H3