4-(4-bromophenyl)-7-(4-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione

Systemtic Name: 4-(4-bromophenyl)-7-(4-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione Openeye Name: 4-(4-bromophenyl)-7-(4-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione CAS Name: 4-(4-bromophenyl)-7-(4-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione IUPAC Name: 4-(4-bromophenyl)-7-(4-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione Traditional Name: 4-(4-bromophenyl)-7-(4-methylphenoxy)-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)OC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)Br

InChI

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