4,5,6,7-tetrakis(bromanyl)-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 4,5,6,7-tetrakis(bromanyl)-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 4,5,6,7-tetrabromo-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 4,5,6,7-tetrabromo-2-[(3,5-dinitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 4,5,6,7-tetrabromo-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 4,5,6,7-tetrabromo-2-[(3,5-dinitrobenzyl)thio]-1H-benzimidazole Formula: C14H6Br4N4O4S MolecularWeight: 645.90284

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=NC3=C(N2)C(=C(C(=C3Br)Br)Br)Br

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=NC3=C(N2)C(=C(C(=C3Br)Br)Br)Br

InChI

InChI=1S/C14H6Br4N4O4S/c15-8-9(16)11(18)13-12(10(8)17)19-14(20-13)27-4-5-1-6(21(23)24)3-7(2-5)22(25)26/h1-3H,4H2,(H,19,20)