methyl N-[3,5-bis(trifluoromethyl)phenyl]morpholine-4-carboximidothioate iodide

Systemtic Name: methyl N-[3,5-bis(trifluoromethyl)phenyl]morpholine-4-carboximidothioate iodide Openeye Name: methyl N-[3,5-bis(trifluoromethyl)phenyl]morpholine-4-carboximidothioate iodide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-morpholinecarboximidothioic acid methyl ester iodide IUPAC Name: methyl N-[3,5-bis(trifluoromethyl)phenyl]morpholine-4-carboximidothioate iodide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]morpholine-4-carboximidothioic acid methyl ester iodide Formula: C14H14F6IN2OS- MolecularWeight: 499.233649

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N2CCOCC2.[I-]

Isomeric SMILES

CSC(=NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N2CCOCC2.[I-]

InChI

InChI=1S/C14H14F6N2OS.HI/c1-24-12(22-2-4-23-5-3-22)21-11-7-9(13(15,16)17)6-10(8-11)14(18,19)20;/h6-8H,2-5H2,1H3;1H/p-1