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

Systemtic Name: 2-[4-(4-chlorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(4-chlorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(4-chlorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-chlorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(4-chlorophenyl)-3-(4-mesylphenyl)-5-methyl-pyrazol-1-yl]acetonitrile Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC#N)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC#N)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O2S/c1-13-18(14-3-7-16(20)8-4-14)19(22-23(13)12-11-21)15-5-9-17(10-6-15)26(2,24)25/h3-10H,12H2,1-2H3