3-[bis(fluoranyl)methyl]-1-(4-methylsulfonylphenyl)benzo[g]indazole-7-carbonitrile

Systemtic Name: 3-[bis(fluoranyl)methyl]-1-(4-methylsulfonylphenyl)benzo[g]indazole-7-carbonitrile Openeye Name: 3-(difluoromethyl)-1-(4-methylsulfonylphenyl)benzo[g]indazole-7-carbonitrile CAS Name: 3-(difluoromethyl)-1-(4-methylsulfonylphenyl)-7-benzo[g]indazolecarbonitrile IUPAC Name: 3-(difluoromethyl)-1-(4-methylsulfonylphenyl)benzo[g]indazole-7-carbonitrile Traditional Name: 3-(difluoromethyl)-1-(4-mesylphenyl)benz[g]indazole-7-carbonitrile Formula: C20H13F2N3O2S MolecularWeight: 397.397926

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=CC4=C3C=CC(=C4)C#N)C(=N2)C(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=CC4=C3C=CC(=C4)C#N)C(=N2)C(F)F

InChI

InChI=1S/C20H13F2N3O2S/c1-28(26,27)15-6-4-14(5-7-15)25-19-16-8-2-12(11-23)10-13(16)3-9-17(19)18(24-25)20(21)22/h2-10,20H,1H3