3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(piperonylthio)-5-(trifluoromethyl)-1,2,4-triazole Formula: C12H10F3N3O2S MolecularWeight: 317.28691

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C(F)(F)F

InChI

InChI=1S/C12H10F3N3O2S/c1-18-10(12(13,14)15)16-17-11(18)21-5-7-2-3-8-9(4-7)20-6-19-8/h2-4H,5-6H2,1H3