2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-nitro-1,3-benzothiazole Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-nitro-1,3-benzothiazole CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-6-nitro-1,3-benzothiazole Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-6-nitro-1,3-benzothiazole Formula: C14H5F3N4O6S2 MolecularWeight: 446.33791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H5F3N4O6S2/c15-14(16,17)6-3-9(20(24)25)12(10(4-6)21(26)27)29-13-18-8-2-1-7(19(22)23)5-11(8)28-13/h1-5H