2-[[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylmethyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-[[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylmethyl]-5-oxidanyl-pyran-4-one Openeye Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]-5-hydroxy-pyran-4-one CAS Name: 2-[[[2-amino-4-(trifluoromethyl)phenyl]thio]methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]-5-hydroxypyran-4-one Traditional Name: 2-[[[2-amino-4-(trifluoromethyl)phenyl]thio]methyl]-5-hydroxy-pyran-4-one Formula: C13H10F3NO3S MolecularWeight: 317.28361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)N)SCC2=CC(=O)C(=CO2)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)N)SCC2=CC(=O)C(=CO2)O

InChI

InChI=1S/C13H10F3NO3S/c14-13(15,16)7-1-2-12(9(17)3-7)21-6-8-4-10(18)11(19)5-20-8/h1-5,19H,6,17H2