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

Systemtic Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[5-(benzyloxymethyl)-4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[5-(benzoxymethyl)-4-(4-chlorophenyl)-3-(4-mesylphenyl)pyrazol-1-yl]acetonitrile Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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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)COCC4=CC=CC=C4)CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)COCC4=CC=CC=C4)CC#N

InChI

InChI=1S/C26H22ClN3O3S/c1-34(31,32)23-13-9-21(10-14-23)26-25(20-7-11-22(27)12-8-20)24(30(29-26)16-15-28)18-33-17-19-5-3-2-4-6-19/h2-14H,16-18H2,1H3