(3-fluoranyl-4-methoxy-phenyl)methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC(=C(C=C2)OC)F)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC(=C(C=C2)OC)F)C3=CC=CC=C3

InChI

InChI=1S/C20H20FN3O3S/c1-3-24-19(15-7-5-4-6-8-15)22-23-20(24)28-13-18(25)27-12-14-9-10-17(26-2)16(21)11-14/h4-11H,3,12-13H2,1-2H3