3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole Formula: C17H13BrFN3O2S MolecularWeight: 422.271423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=CC=C4F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=CC=C4F

InChI

InChI=1S/C17H13BrFN3O2S/c1-22-16(11-4-2-3-5-13(11)19)20-21-17(22)25-8-10-6-14-15(7-12(10)18)24-9-23-14/h2-7H,8-9H2,1H3