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

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-isopropyl-1-phenyl-1,2,4-triazole CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenyl-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-isopropyl-1-phenyl-1,2,4-triazole Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C20H20FN3O2S/c1-13(2)19-22-20(23-24(19)17-6-4-3-5-7-17)27-11-15-9-16(21)8-14-10-25-12-26-18(14)15/h3-9,13H,10-12H2,1-2H3