4-(3-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbonitrile

Systemtic Name: 4-(3-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbonitrile Openeye Name: 4-(3-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbonitrile CAS Name: 4-(3-methylsulfonylphenyl)-1-phenyl-3-pyrazolecarbonitrile IUPAC Name: 4-(3-methylsulfonylphenyl)-1-phenylpyrazole-3-carbonitrile Traditional Name: 4-(3-mesylphenyl)-1-phenyl-pyrazole-3-carbonitrile Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CN(N=C2C#N)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CN(N=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O2S/c1-23(21,22)15-9-5-6-13(10-15)16-12-20(19-17(16)11-18)14-7-3-2-4-8-14/h2-10,12H,1H3