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

Systemtic Name: 3-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4-fluorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4-fluorophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4-fluoro-benzyl)thio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C17H16BrFN4O2S MolecularWeight: 439.301943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=C(C=C(C=C3)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=C(C=C(C=C3)F)Br)OC

InChI

InChI=1S/C17H16BrFN4O2S/c1-24-14-6-4-10(7-15(14)25-2)16-21-22-17(23(16)20)26-9-11-3-5-12(19)8-13(11)18/h3-8H,9,20H2,1-2H3