2-[3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl]ethanenitrile Openeye Name: 2-[3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl]acetonitrile CAS Name: 2-[3-(4-methylsulfonylphenyl)-4-phenyl-1-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(4-methylsulfonylphenyl)-4-phenylpyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(4-mesylphenyl)-4-phenyl-pyrazol-1-yl]acetonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C3=CC=CC=C3)CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C3=CC=CC=C3)CC#N

InChI

InChI=1S/C18H15N3O2S/c1-24(22,23)16-9-7-15(8-10-16)18-17(13-21(20-18)12-11-19)14-5-3-2-4-6-14/h2-10,13H,12H2,1H3