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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F

InChI

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