7-methyl-2-methylsulfanyl-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide

Systemtic Name: 7-methyl-2-methylsulfanyl-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide Openeye Name: 7-methyl-2-methylsulfanyl-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide CAS Name: 7-methyl-2-(methylthio)-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide IUPAC Name: 7-methyl-2-methylsulfanyl-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide Traditional Name: 7-methyl-2-(methylthio)-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide Formula: C17H19IN2S MolecularWeight: 410.31563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NCC2C3=CC=CC=C3)SC.I

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NCC2C3=CC=CC=C3)SC.I

InChI

InChI=1S/C17H18N2S.HI/c1-12-8-9-16-14(10-12)15(11-18-17(19-16)20-2)13-6-4-3-5-7-13;/h3-10,15H,11H2,1-2H3,(H,18,19);1H