5-(4-bromophenyl)-1-(3-fluoranyl-4-methylsulfonyl-phenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(4-bromophenyl)-1-(3-fluoranyl-4-methylsulfonyl-phenyl)pyrazole-4-carbonitrile Openeye Name: 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonyl-phenyl)pyrazole-4-carbonitrile CAS Name: 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonylphenyl)pyrazole-4-carbonitrile Traditional Name: 5-(4-bromophenyl)-1-(3-fluoro-4-mesyl-phenyl)pyrazole-4-carbonitrile Formula: C17H11BrFN3O2S MolecularWeight: 420.255543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrFN3O2S/c1-25(23,24)16-7-6-14(8-15(16)19)22-17(12(9-20)10-21-22)11-2-4-13(18)5-3-11/h2-8,10H,1H3