4,5-dimethyl-1-phenyl-pyrazole-3-carbonitrile

Systemtic Name: 4,5-dimethyl-1-phenyl-pyrazole-3-carbonitrile Openeye Name: 4,5-dimethyl-1-phenyl-pyrazole-3-carbonitrile CAS Name: 4,5-dimethyl-1-phenyl-3-pyrazolecarbonitrile IUPAC Name: 4,5-dimethyl-1-phenylpyrazole-3-carbonitrile Traditional Name: 4,5-dimethyl-1-phenyl-pyrazole-3-carbonitrile Formula: C12H11N3 MolecularWeight: 197.23584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(N=C1C#N)C2=CC=CC=C2)C

InChI

InChI=1S/C12H11N3/c1-9-10(2)15(14-12(9)8-13)11-6-4-3-5-7-11/h3-7H,1-2H3