7-chloranyl-5-(2-fluorophenyl)-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepine-2-thione

Systemtic Name: 7-chloranyl-5-(2-fluorophenyl)-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepine-2-thione Openeye Name: 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepine-2-thione CAS Name: 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepine-2-thione IUPAC Name: 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepine-2-thione Traditional Name: 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepine-2-thione Formula: C17H11ClF4N2S MolecularWeight: 386.794253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2