5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1H-imidazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1H-imidazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1H-imidazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1H-imidazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1H-imidazole-2-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-4-imidazoline-2-thione Formula: C16H11BrN2O2S MolecularWeight: 375.23974

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CN(C(=S)N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CN(C(=S)N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C16H11BrN2O2S/c17-11-2-4-12(5-3-11)19-8-13(18-16(19)22)10-1-6-14-15(7-10)21-9-20-14/h1-8H,9H2,(H,18,22)