4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrobenzyl)thio]-5-(trifluoromethyl)-1,2,4-triazole Formula: C11H9F3N4O2S MolecularWeight: 318.27497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F3N4O2S/c1-17-9(11(12,13)14)15-16-10(17)21-6-7-2-4-8(5-3-7)18(19)20/h2-5H,6H2,1H3