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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C11H10F4N4OS MolecularWeight: 322.281913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)C(F)(F)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)C(F)(F)F)F

InChI

InChI=1S/C11H10F4N4OS/c1-20-8-3-2-6(4-7(8)12)5-21-10-18-17-9(19(10)16)11(13,14)15/h2-4H,5,16H2,1H3