5-(2-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CN=C(NC3=CC=CC=C23)SC.I

Isomeric SMILES

CC1=CC=CC=C1C2CN=C(NC3=CC=CC=C23)SC.I

InChI

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