2-[4-(4-chlorophenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-chlorophenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(4-chlorophenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(4-chlorophenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-chlorophenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(4-chlorophenyl)-3-(4-mesylphenyl)-5-methylol-pyrazol-1-yl]acetonitrile Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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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)CO)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S/c1-27(25,26)16-8-4-14(5-9-16)19-18(13-2-6-15(20)7-3-13)17(12-24)23(22-19)11-10-21/h2-9,24H,11-12H2,1H3