1-(4-ethylphenyl)-2-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethylphenyl)-2-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethylphenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethylphenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethylphenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-ethylphenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H30FN3O2S MolecularWeight: 455.588003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)CC)COC3=CC=CC=C3F

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)CC)COC3=CC=CC=C3F

InChI

InChI=1S/C25H30FN3O2S/c1-3-5-6-9-16-29-24(17-31-23-11-8-7-10-21(23)26)27-28-25(29)32-18-22(30)20-14-12-19(4-2)13-15-20/h7-8,10-15H,3-6,9,16-18H2,1-2H3