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

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-isopropyl-1H-1,2,4-triazole Formula: C14H16FN3O2S MolecularWeight: 309.359143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=C3C(=CC(=C2)F)COCO3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=C3C(=CC(=C2)F)COCO3

InChI

InChI=1S/C14H16FN3O2S/c1-8(2)13-16-14(18-17-13)21-6-10-4-11(15)3-9-5-19-7-20-12(9)10/h3-4,8H,5-7H2,1-2H3,(H,16,17,18)