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

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1,3-benzothiazole IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1,3-benzothiazole Formula: C14H6F3N3O4S2 MolecularWeight: 401.34035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H6F3N3O4S2/c15-14(16,17)7-5-9(19(21)22)12(10(6-7)20(23)24)26-13-18-8-3-1-2-4-11(8)25-13/h1-6H