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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C17H16BrN3O3S MolecularWeight: 422.29624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C17H16BrN3O3S/c1-10-12(3-4-22-10)16-19-20-17(21(16)2)25-9-11-7-14-15(8-13(11)18)24-6-5-23-14/h3-4,7-8H,5-6,9H2,1-2H3