6-nitro-2-[[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[[4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]methylthio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[[4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzyl]thio]-1,3-benzothiazole Formula: C22H14N4O4S4 MolecularWeight: 526.63096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O4S4/c27-25(28)15-5-7-17-19(9-15)33-21(23-17)31-11-13-1-2-14(4-3-13)12-32-22-24-18-8-6-16(26(29)30)10-20(18)34-22/h1-10H,11-12H2