3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C19H18BrN3O3S MolecularWeight: 448.33352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H18BrN3O3S/c1-3-5-23-18(14-4-6-24-12(14)2)21-22-19(23)27-11-13-9-16-17(10-15(13)20)26-8-7-25-16/h3-4,6,9-10H,1,5,7-8,11H2,2H3