propan-2-yl 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-fluorophenyl)-5-p-phenetyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O3S/c1-4-27-16-11-9-15(10-12-16)20-23-24-21(29-13-19(26)28-14(2)3)25(20)18-8-6-5-7-17(18)22/h5-12,14H,4,13H2,1-3H3