7-(3-bromanylphenoxy)-4-(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione

Systemtic Name: 7-(3-bromanylphenoxy)-4-(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione Openeye Name: 7-(3-bromophenoxy)-4-(p-tolyl)-1,3-dihydro-1,5-benzodiazepine-2-thione CAS Name: 7-(3-bromophenoxy)-4-(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione IUPAC Name: 7-(3-bromophenoxy)-4-(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione Traditional Name: 7-(3-bromophenoxy)-4-(p-tolyl)-1,3-dihydro-1,5-benzodiazepine-2-thione Formula: C22H17BrN2OS MolecularWeight: 437.35218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC(=CC=C4)Br)NC(=S)C2

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC(=CC=C4)Br)NC(=S)C2

InChI

InChI=1S/C22H17BrN2OS/c1-14-5-7-15(8-6-14)20-13-22(27)25-19-10-9-18(12-21(19)24-20)26-17-4-2-3-16(23)11-17/h2-12H,13H2,1H3,(H,25,27)