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

Systemtic Name: 2-[5-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[5-methyl-3-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[5-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[5-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(4-mesylphenyl)-5-methyl-4-(p-tolyl)pyrazol-1-yl]acetonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S/c1-14-4-6-16(7-5-14)19-15(2)23(13-12-21)22-20(19)17-8-10-18(11-9-17)26(3,24)25/h4-11H,13H2,1-3H3