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

Systemtic Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(4-chlorophenyl)-3-(4-mesylphenyl)pyrazol-1-yl]acetonitrile Formula: C18H14ClN3O2S MolecularWeight: 371.84066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O2S/c1-25(23,24)16-8-4-14(5-9-16)18-17(12-22(21-18)11-10-20)13-2-6-15(19)7-3-13/h2-9,12H,11H2,1H3