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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-fluoro-4-methoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN4O2S/c1-21(2,3)15-6-8-16(9-7-15)28-12-19-24-25-20(26(19)23)29-13-14-5-10-18(27-4)17(22)11-14/h5-11H,12-13,23H2,1-4H3