4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyrazolecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyrazole-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-5-(4-mesylphenyl)-2-phenethyl-pyrazole-3-carbonitrile Formula: C25H20ClN3O2S MolecularWeight: 461.9632

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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)C#N)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C25H20ClN3O2S/c1-32(30,31)22-13-9-20(10-14-22)25-24(19-7-11-21(26)12-8-19)23(17-27)29(28-25)16-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3