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

Systemtic Name: 3-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile Openeye Name: 3-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile CAS Name: 3-(4-bromophenyl)-1-(4-methylsulfonylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 3-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile Traditional Name: 3-(4-bromophenyl)-1-(4-mesylphenyl)pyrazole-4-carbonitrile Formula: C17H12BrN3O2S MolecularWeight: 402.26508

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C17H12BrN3O2S/c1-24(22,23)16-8-6-15(7-9-16)21-11-13(10-19)17(20-21)12-2-4-14(18)5-3-12/h2-9,11H,1H3