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

Systemtic Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[5-(benzyloxymethyl)-3-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[5-(benzoxymethyl)-3-(4-mesylphenyl)-4-(p-tolyl)pyrazol-1-yl]acetonitrile Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)COCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3S/c1-20-8-10-22(11-9-20)26-25(19-33-18-21-6-4-3-5-7-21)30(17-16-28)29-27(26)23-12-14-24(15-13-23)34(2,31)32/h3-15H,17-19H2,1-2H3