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

Systemtic Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carbonitrile Openeye Name: 2-benzyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyrazolecarbonitrile IUPAC Name: 2-benzyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 2-benzyl-4-(4-chlorophenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C24H18ClN3O2S MolecularWeight: 447.93662

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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)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H18ClN3O2S/c1-31(29,30)21-13-9-19(10-14-21)24-23(18-7-11-20(25)12-8-18)22(15-26)28(27-24)16-17-5-3-2-4-6-17/h2-14H,16H2,1H3