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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-(4-fluorophenyl)-4-methyl-5-(piperonylthio)-1,2,4-triazole Formula: C17H14FN3O2S MolecularWeight: 343.375363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H14FN3O2S/c1-21-16(12-3-5-13(18)6-4-12)19-20-17(21)24-9-11-2-7-14-15(8-11)23-10-22-14/h2-8H,9-10H2,1H3