tert-butyl (2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylmethanoate

Systemtic Name: tert-butyl (2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylmethanoate Openeye Name: tert-butyl (2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylformate CAS Name: [(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]formic acid tert-butyl ester IUPAC Name: tert-butyl (2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylformate Traditional Name: [(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]formic acid tert-butyl ester Formula: C12H11ClFNO2S2 MolecularWeight: 319.802643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)SC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C12H11ClFNO2S2/c1-12(2,3)17-11(16)19-10-5-9(15-6-18)8(14)4-7(10)13/h4-5H,1-3H3