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4,6-bis(bromanyl)-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole

4,6-bis(bromanyl)-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole

Systemtic Name:4,6-bis(bromanyl)-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole
Openeye Name:4,6-dibromo-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole
CAS Name:4,6-dibromo-2-[(3,5-dinitrophenyl)thio]-1H-benzimidazole
IUPAC Name:4,6-dibromo-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole
Traditional Name:4,6-dibromo-2-[(3,5-dinitrophenyl)thio]-1H-benzimidazole
Formula: C13H6Br2N4O4S
MolecularWeight: 474.08414
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])SC2=NC3=C(C=C(C=C3N2)Br)Br)[N+](=O)[O-]


Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])SC2=NC3=C(C=C(C=C3N2)Br)Br)[N+](=O)[O-]


InChI

InChI=1S/C13H6Br2N4O4S/c14-6-1-10(15)12-11(2-6)16-13(17-12)24-9-4-7(18(20)21)3-8(5-9)19(22)23/h1-5H,(H,16,17)


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