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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-methyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-methyl-5-(2-thienyl)-1,2,4-triazole Formula: C16H16BrN3O2S2 MolecularWeight: 426.35114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2Br)OC)OC)C3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2Br)OC)OC)C3=CC=CS3

InChI

InChI=1S/C16H16BrN3O2S2/c1-20-15(14-5-4-6-23-14)18-19-16(20)24-9-10-7-12(21-2)13(22-3)8-11(10)17/h4-8H,9H2,1-3H3