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

Systemtic Name: 3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methyl-2-furyl)-1,2,4-triazole CAS Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-5-(3-methyl-2-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-5-(3-methyl-2-furyl)-1,2,4-triazole Formula: C25H22FN3O3S MolecularWeight: 463.523883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C2=NN=C(N2CC=C)SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC=C1)C2=NN=C(N2CC=C)SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H22FN3O3S/c1-3-10-29-23(21-16(2)9-11-30-21)27-28-25(29)33-15-19-13-20(26)12-18-14-31-24(32-22(18)19)17-7-5-4-6-8-17/h3-9,11-13,24H,1,10,14-15H2,2H3