5-[2,6-bis(fluoranyl)phenyl]-7-chloranyl-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 5-[2,6-bis(fluoranyl)phenyl]-7-chloranyl-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C15H9ClF2N2S MolecularWeight: 322.760166

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=C(C=CC=C3F)F

Isomeric SMILES

C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=C(C=CC=C3F)F

InChI

InChI=1S/C15H9ClF2N2S/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)