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

Systemtic Name: 5-cyclopropyl-3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazole Formula: C20H18FN3O2S MolecularWeight: 383.439223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C20H18FN3O2S/c21-16-8-14-10-25-19(13-4-2-1-3-5-13)26-17(14)15(9-16)11-27-20-22-18(23-24-20)12-6-7-12/h1-5,8-9,12,19H,6-7,10-11H2,(H,22,23,24)