5-[(E)-2-[3-chloranyl-2-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]ethenyl]-8-fluoranyl-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride

Systemtic Name: 5-[(E)-2-[3-chloranyl-2-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]ethenyl]-8-fluoranyl-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 5-[(E)-2-[3-chloro-2-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]vinyl]-8-fluoro-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 5-[(E)-2-[3-chloro-2-[(3,4-dichlorophenyl)methylthio]phenyl]ethenyl]-8-fluoro-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 5-[(E)-2-[3-chloro-2-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]ethenyl]-8-fluoro-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 5-[(E)-2-[3-chloro-2-[(3,4-dichlorobenzyl)thio]phenyl]vinyl]-8-fluoro-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C25H22Cl5FN2S MolecularWeight: 578.783983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=C1C=C(C=C2)F)C=CC3=C(C(=CC=C3)Cl)SCC4=CC(=C(C=C4)Cl)Cl.Cl.Cl

Isomeric SMILES

CN1CCN=C(C2=C1C=C(C=C2)F)/C=C/C3=C(C(=CC=C3)Cl)SCC4=CC(=C(C=C4)Cl)Cl.Cl.Cl

InChI

InChI=1S/C25H20Cl3FN2S.2ClH/c1-31-12-11-30-23(19-8-7-18(29)14-24(19)31)10-6-17-3-2-4-21(27)25(17)32-15-16-5-9-20(26)22(28)13-16;;/h2-10,13-14H,11-12,15H2,1H3;2*1H/b10-6+;;