3-[(3-azanylfuran-2-yl)methylsulfanyl]heptan-2-one

Systemtic Name: 3-[(3-azanylfuran-2-yl)methylsulfanyl]heptan-2-one Openeye Name: 3-[(3-amino-2-furyl)methylsulfanyl]heptan-2-one CAS Name: 3-[(3-amino-2-furanyl)methylthio]-2-heptanone IUPAC Name: 3-[(3-aminofuran-2-yl)methylsulfanyl]heptan-2-one Traditional Name: 3-[(3-amino-2-furyl)methylthio]heptan-2-one Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C)SCC1=C(C=CO1)N

Isomeric SMILES

CCCCC(C(=O)C)SCC1=C(C=CO1)N

InChI

InChI=1S/C12H19NO2S/c1-3-4-5-12(9(2)14)16-8-11-10(13)6-7-15-11/h6-7,12H,3-5,8,13H2,1-2H3