2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethanenitrile

Systemtic Name: 2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethanenitrile Openeye Name: 2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acetonitrile CAS Name: 2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)acetonitrile IUPAC Name: 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)acetonitrile Traditional Name: 2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acetonitrile Formula: C12H10ClN3 MolecularWeight: 231.6809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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