6-nitro-2-[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butylsulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butylsulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[4-[(6-nitro-1,3-benzothiazol-2-yl)thio]butylthio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butylsulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[4-[(6-nitro-1,3-benzothiazol-2-yl)thio]butylthio]-1,3-benzothiazole Formula: C18H14N4O4S4 MolecularWeight: 478.58816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCCCCSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCCCCSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S4/c23-21(24)11-3-5-13-15(9-11)29-17(19-13)27-7-1-2-8-28-18-20-14-6-4-12(22(25)26)10-16(14)30-18/h3-6,9-10H,1-2,7-8H2