3-(3,5-dimethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3,5-dimethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3,5-dimethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3,5-dimethoxyphenyl)-5-[(3-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3,5-dimethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3,5-dimethoxyphenyl)-5-[(3-fluorobenzyl)thio]-1,2,4-triazole Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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