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2-[(3-nitrophenyl)methylsulfanyl]-3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium

2-[(3-nitrophenyl)methylsulfanyl]-3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium

Systemtic Name:2-[(3-nitrophenyl)methylsulfanyl]-3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium
Openeye Name:2-[(3-nitrophenyl)methylsulfanyl]-3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium
CAS Name:2-[(3-nitrophenyl)methylthio]-3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium
IUPAC Name:2-[(3-nitrophenyl)methylsulfanyl]-3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium
Traditional Name:2-[(3-nitrobenzyl)thio]-3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium
Formula: C20H15N4O6S2+
MolecularWeight: 471.4863
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)[N+](=O)[O-]


InChI

InChI=1S/C20H14N4O6S2/c25-23(26)15-6-3-5-14(11-15)13-31-20-21-18-9-1-2-10-19(18)22(20)32(29,30)17-8-4-7-16(12-17)24(27)28/h1-12H,13H2/p+1


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