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

Systemtic Name: 3-[(5-fluoranyl-2-methoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(5-fluoro-2-methoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(5-fluoro-2-methoxyphenyl)methylthio]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(5-fluoro-2-methoxy-benzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC(=C3)F)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C20H20FN3O2S/c1-4-11-24-19(14-5-8-17(25-2)9-6-14)22-23-20(24)27-13-15-12-16(21)7-10-18(15)26-3/h4-10,12H,1,11,13H2,2-3H3