tert-butyl N-[[3-ethanoyl-5-(2-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-ethanoyl-5-(2-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate Openeye Name: tert-butyl N-[[3-acetyl-5-(2-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate CAS Name: N-[[3-acetyl-5-(2-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-acetyl-5-(2-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate Traditional Name: N-[[3-acetyl-5-(2-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamic acid tert-butyl ester Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C2=CC=CC=C2F)(CNC(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(SC(=N1)C2=CC=CC=C2F)(CNC(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H24FN3O3S/c1-15(27)26-22(16-10-6-5-7-11-16,14-24-20(28)29-21(2,3)4)30-19(25-26)17-12-8-9-13-18(17)23/h5-13H,14H2,1-4H3,(H,24,28)