5-nitro-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Systemtic Name: 5-nitro-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole Openeye Name: 5-nitro-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole CAS Name: 5-nitro-3-[[4-(trifluoromethyl)phenyl]methylthio]-3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole IUPAC Name: 5-nitro-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole Traditional Name: 5-nitro-3-[[4-(trifluoromethyl)benzyl]thio]-3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole Formula: C16H11F3N4O2S2 MolecularWeight: 412.40935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC3N2C=NN3SCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC3N2C=NN3SCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C16H11F3N4O2S2/c17-16(18,19)11-6-4-10(5-7-11)8-26-22-15-21(9-20-22)12-2-1-3-13(23(24)25)14(12)27-15/h1-7,9,15H,8H2