3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C12H11F3N4O3S MolecularWeight: 348.30095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N4O3S/c1-18-10(12(13,14)15)16-17-11(18)23-6-7-5-8(19(20)21)3-4-9(7)22-2/h3-5H,6H2,1-2H3