4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-5-(4-mesylphenyl)-1H-pyrazole-3-carbonitrile Formula: C17H12ClN3O2S MolecularWeight: 357.81408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3O2S/c1-24(22,23)14-8-4-12(5-9-14)17-16(15(10-19)20-21-17)11-2-6-13(18)7-3-11/h2-9H,1H3,(H,20,21)