3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC)F

InChI

InChI=1S/C25H24FN3O2S/c1-30-22-11-7-6-10-20(22)24-27-28-25(29(24)15-14-18-8-4-3-5-9-18)32-17-19-12-13-23(31-2)21(26)16-19/h3-13,16H,14-15,17H2,1-2H3