5-(2-fluorophenyl)-2-[(2-methylsulfanyl-1H-indol-3-yl)methyl]-2H-1,4-benzodiazepine

Systemtic Name: 5-(2-fluorophenyl)-2-[(2-methylsulfanyl-1H-indol-3-yl)methyl]-2H-1,4-benzodiazepine Openeye Name: 5-(2-fluorophenyl)-2-[(2-methylsulfanyl-1H-indol-3-yl)methyl]-2H-1,4-benzodiazepine CAS Name: 5-(2-fluorophenyl)-2-[[2-(methylthio)-1H-indol-3-yl]methyl]-2H-1,4-benzodiazepine IUPAC Name: 5-(2-fluorophenyl)-2-[(2-methylsulfanyl-1H-indol-3-yl)methyl]-2H-1,4-benzodiazepine Traditional Name: 5-(2-fluorophenyl)-2-[[2-(methylthio)-1H-indol-3-yl]methyl]-2H-1,4-benzodiazepine Formula: C25H20FN3S MolecularWeight: 413.509803

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=CC=CC=C2N1)CC3C=NC(=C4C=CC=CC4=N3)C5=CC=CC=C5F

Isomeric SMILES

CSC1=C(C2=CC=CC=C2N1)CC3C=NC(=C4C=CC=CC4=N3)C5=CC=CC=C5F

InChI

InChI=1S/C25H20FN3S/c1-30-25-20(17-8-3-6-12-22(17)29-25)14-16-15-27-24(18-9-2-5-11-21(18)26)19-10-4-7-13-23(19)28-16/h2-13,15-16,29H,14H2,1H3