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

Systemtic Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[3-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(4-mesylphenyl)-4-(p-tolyl)pyrazol-1-yl]acetonitrile Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S/c1-14-3-5-15(6-4-14)18-13-22(12-11-20)21-19(18)16-7-9-17(10-8-16)25(2,23)24/h3-10,13H,12H2,1-2H3