2-[[2,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[[2,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[2,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[2,5-dimethyl-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[2,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[2,5-dimethyl-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzyl]thio]-6-nitro-1,3-benzothiazole Formula: C24H18N4O4S4 MolecularWeight: 554.68412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O4S4/c1-13-7-16(12-34-24-26-20-6-4-18(28(31)32)10-22(20)36-24)14(2)8-15(13)11-33-23-25-19-5-3-17(27(29)30)9-21(19)35-23/h3-10H,11-12H2,1-2H3