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

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

Systemtic Name:6-bromanyl-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole
Openeye Name:6-bromo-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole
CAS Name:6-bromo-2-[(3,5-dinitrophenyl)thio]-1H-benzimidazole
IUPAC Name:6-bromo-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole
Traditional Name:6-bromo-2-[(3,5-dinitrophenyl)thio]-1H-benzimidazole
Formula: C13H7BrN4O4S
MolecularWeight: 395.18808
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)NC(=N2)SC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC2=C(C=C1Br)NC(=N2)SC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C13H7BrN4O4S/c14-7-1-2-11-12(3-7)16-13(15-11)23-10-5-8(17(19)20)4-9(6-10)18(21)22/h1-6H,(H,15,16)


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