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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-fluorophenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-fluorophenyl)-1H-1,2,4-triazole Formula: C16H11BrFN3O2S MolecularWeight: 408.244843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NNC(=N3)C4=CC=CC=C4F)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NNC(=N3)C4=CC=CC=C4F)Br

InChI

InChI=1S/C16H11BrFN3O2S/c17-11-6-14-13(22-8-23-14)5-9(11)7-24-16-19-15(20-21-16)10-3-1-2-4-12(10)18/h1-6H,7-8H2,(H,19,20,21)