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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)SC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CCCCOC(=O)SC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C12H11ClFNO2S2/c1-2-3-4-17-12(16)19-11-6-10(15-7-18)9(14)5-8(11)13/h5-6H,2-4H2,1H3