[(1R)-3,3,3-tris(fluoranyl)-2-oxidanylidene-1-phenyl-propyl] 4-tert-butylbenzenecarboximidothioate

Systemtic Name: [(1R)-3,3,3-tris(fluoranyl)-2-oxidanylidene-1-phenyl-propyl] 4-tert-butylbenzenecarboximidothioate Openeye Name: [(1R)-3,3,3-trifluoro-2-oxo-1-phenyl-propyl] 4-tert-butylbenzenecarboximidothioate CAS Name: 4-tert-butylbenzenecarboximidothioic acid [(1R)-3,3,3-trifluoro-2-oxo-1-phenylpropyl] ester IUPAC Name: [(1R)-3,3,3-trifluoro-2-oxo-1-phenylpropyl] 4-tert-butylbenzenecarboximidothioate Traditional Name: 4-tert-butylbenzenecarboximidothioic acid [(1R)-3,3,3-trifluoro-2-keto-1-phenyl-propyl] ester Formula: C20H20F3NOS MolecularWeight: 379.43911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=N)SC(C2=CC=CC=C2)C(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=N)S[C@H](C2=CC=CC=C2)C(=O)C(F)(F)F

InChI

InChI=1S/C20H20F3NOS/c1-19(2,3)15-11-9-14(10-12-15)18(24)26-16(17(25)20(21,22)23)13-7-5-4-6-8-13/h4-12,16,24H,1-3H3/t16-/m1/s1