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

Systemtic Name: pentyl (2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylmethanoate Openeye Name: pentyl (2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylformate CAS Name: [(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]formic acid pentyl ester IUPAC Name: pentyl (2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylformate Traditional Name: [(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]formic acid amyl ester Formula: C13H13ClFNO2S2 MolecularWeight: 333.829223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClFNO2S2/c1-2-3-4-5-18-13(17)20-12-7-11(16-8-19)10(15)6-9(12)14/h6-7H,2-5H2,1H3