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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-fluoro-4-methoxy-benzyl)thio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C18H19FN4O3S MolecularWeight: 390.431863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C18H19FN4O3S/c1-24-13-4-3-5-14(9-13)26-10-17-21-22-18(23(17)20)27-11-12-6-7-16(25-2)15(19)8-12/h3-9H,10-11,20H2,1-2H3