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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methylthio]-4-(3-methoxypropyl)-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[(3-fluorobenzyl)thio]-4-(3-methoxypropyl)-1,2,4-triazole Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24FN3O3S/c1-26-11-5-10-25-20(16-8-9-18(27-2)19(13-16)28-3)23-24-21(25)29-14-15-6-4-7-17(22)12-15/h4,6-9,12-13H,5,10-11,14H2,1-3H3