4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carbonitrile Openeye Name: 2-allyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-3-pyrazolecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enylpyrazole-3-carbonitrile Traditional Name: 2-allyl-4-(4-chlorophenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O2S/c1-3-12-24-18(13-22)19(14-4-8-16(21)9-5-14)20(23-24)15-6-10-17(11-7-15)27(2,25)26/h3-11H,1,12H2,2H3