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

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (1-methyl-2-oxo-propyl) 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid (2-keto-1-methyl-propyl) ester Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O3S/c1-13(25)14(2)27-18(26)12-28-20-23-22-19(15-8-10-16(21)11-9-15)24(20)17-6-4-3-5-7-17/h3-11,14H,12H2,1-2H3