methyl (2R)-2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl (2R)-2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[4-(2-fluorophenyl)-5-p-phenetyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)SC(C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)S[C@H](C)C(=O)OC

InChI

InChI=1S/C20H20FN3O3S/c1-4-27-15-11-9-14(10-12-15)18-22-23-20(28-13(2)19(25)26-3)24(18)17-8-6-5-7-16(17)21/h5-13H,4H2,1-3H3/t13-/m1/s1