5-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 5-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 5-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 5-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 5-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 5-(3-mesylphenyl)-6-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C17H13F3N2O2S2 MolecularWeight: 398.42253

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=NCC(=S)NC3=CC=CC(=C32)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=NCC(=S)NC3=CC=CC(=C32)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O2S2/c1-26(23,24)11-5-2-4-10(8-11)16-15-12(17(18,19)20)6-3-7-13(15)22-14(25)9-21-16/h2-8H,9H2,1H3,(H,22,25)