3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-methyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C12H15BrN4O2S MolecularWeight: 359.2421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C12H15BrN4O2S/c1-7-15-16-12(17(7)14)20-6-8-4-10(18-2)11(19-3)5-9(8)13/h4-5H,6,14H2,1-3H3