5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbonitrile

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbonitrile Openeye Name: 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbonitrile CAS Name: 5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolecarbonitrile IUPAC Name: 5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carbonitrile Traditional Name: 5-(4-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=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C#N

InChI

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