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

Systemtic Name: 4-(4-bromophenyl)-7-(2-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione Openeye Name: 4-(4-bromophenyl)-7-(2-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione CAS Name: 4-(4-bromophenyl)-7-(2-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione IUPAC Name: 4-(4-bromophenyl)-7-(2-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione Traditional Name: 4-(4-bromophenyl)-7-(2-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=CC=C1OC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1OC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)Br

InChI

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