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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2Br)OC)OC)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2Br)OC)OC)C3=CC=CO3

InChI

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