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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C11H13BrN4O2S MolecularWeight: 345.21552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NNC(=N2)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NNC(=N2)N)Br)OC

InChI

InChI=1S/C11H13BrN4O2S/c1-17-8-3-6(7(12)4-9(8)18-2)5-19-11-14-10(13)15-16-11/h3-4H,5H2,1-2H3,(H3,13,14,15,16)