3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-(2-furanyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-(2-furyl)-4-methyl-1,2,4-triazole Formula: C16H16BrN3O3S MolecularWeight: 410.28554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2OC)Br)OC)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2OC)Br)OC)C3=CC=CO3

InChI

InChI=1S/C16H16BrN3O3S/c1-20-15(12-5-4-6-23-12)18-19-16(20)24-9-10-7-14(22-3)11(17)8-13(10)21-2/h4-8H,9H2,1-3H3