2-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[4-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]sulfonyl-2-nitrophenyl]thio]-1,3-benzothiazole IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]sulfonyl-2-nitrophenyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[4-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]thio]-1,3-benzothiazole Formula: C26H14N4O6S5 MolecularWeight: 638.73756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H14N4O6S5/c31-29(32)19-13-15(9-11-23(19)39-25-27-17-5-1-3-7-21(17)37-25)41(35,36)16-10-12-24(20(14-16)30(33)34)40-26-28-18-6-2-4-8-22(18)38-26/h1-14H