3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC3=CC(=C(C=C3)OC)F

InChI

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