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

Systemtic Name: 7-methyl-5-(4-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide Openeye Name: 7-methyl-2-methylsulfanyl-5-(p-tolyl)-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide CAS Name: 7-methyl-5-(4-methylphenyl)-2-(methylthio)-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide IUPAC Name: 7-methyl-5-(4-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide Traditional Name: 7-methyl-2-(methylthio)-5-(p-tolyl)-4,5-dihydro-1H-1,3-benzodiazepine hydroiodide Formula: C18H21IN2S MolecularWeight: 424.34221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN=C(NC3=C2C=C(C=C3)C)SC.I

Isomeric SMILES

CC1=CC=C(C=C1)C2CN=C(NC3=C2C=C(C=C3)C)SC.I

InChI

InChI=1S/C18H20N2S.HI/c1-12-4-7-14(8-5-12)16-11-19-18(21-3)20-17-9-6-13(2)10-15(16)17;/h4-10,16H,11H2,1-3H3,(H,19,20);1H