4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazole Formula: C13H11F3N4O4S MolecularWeight: 376.31105

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(F)(F)F

InChI

InChI=1S/C13H11F3N4O4S/c1-19-11(13(14,15)16)17-18-12(19)25-5-8-3-9(20(21)22)2-7-4-23-6-24-10(7)8/h2-3H,4-6H2,1H3