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

Systemtic Name: 3-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-(ethylthio)-4-[(4-nitrophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-(ethylthio)-4-(4-nitrobenzyl)-5-(trifluoromethyl)-1,2,4-triazole Formula: C12H11F3N4O2S MolecularWeight: 332.30155

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H11F3N4O2S/c1-2-22-11-17-16-10(12(13,14)15)18(11)7-8-3-5-9(6-4-8)19(20)21/h3-6H,2,7H2,1H3