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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-4,5-dimethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-4,5-dimethyl-1,2,4-triazole Formula: C13H16BrN3O2S MolecularWeight: 358.25404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CC1=NN=C(N1C)SCC2=CC(=C(C=C2OC)Br)OC

InChI

InChI=1S/C13H16BrN3O2S/c1-8-15-16-13(17(8)2)20-7-9-5-12(19-4)10(14)6-11(9)18-3/h5-6H,7H2,1-4H3