3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Openeye Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienylmethyl)-1H-1,2,4-triazole CAS Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Traditional Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thenyl)-1H-1,2,4-triazole Formula: C22H18FN3O2S2 MolecularWeight: 439.525623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NNC(=N4)CC5=CC=CS5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NNC(=N4)CC5=CC=CS5)F

InChI

InChI=1S/C22H18FN3O2S2/c23-17-9-15-12-27-21(14-5-2-1-3-6-14)28-20(15)16(10-17)13-30-22-24-19(25-26-22)11-18-7-4-8-29-18/h1-10,21H,11-13H2,(H,24,25,26)