3-[5-(chloromethyl)-3-methyl-pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(chloromethyl)-3-methyl-pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[5-(chloromethyl)-3-methyl-pyrazol-1-yl]benzonitrile CAS Name: 3-[5-(chloromethyl)-3-methyl-1-pyrazolyl]benzonitrile IUPAC Name: 3-[5-(chloromethyl)-3-methylpyrazol-1-yl]benzonitrile Traditional Name: 3-[5-(chloromethyl)-3-methyl-pyrazol-1-yl]benzonitrile Formula: C12H10ClN3 MolecularWeight: 231.6809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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