3-azanyl-1-(2-methylsulfanylphenyl)pentane-1,2,4-trione

Systemtic Name: 3-azanyl-1-(2-methylsulfanylphenyl)pentane-1,2,4-trione Openeye Name: 3-amino-1-(2-methylsulfanylphenyl)pentane-1,2,4-trione CAS Name: 3-amino-1-[2-(methylthio)phenyl]pentane-1,2,4-trione IUPAC Name: 3-amino-1-(2-methylsulfanylphenyl)pentane-1,2,4-trione Traditional Name: 3-amino-1-[2-(methylthio)phenyl]pentane-1,2,4-trione Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C(=O)C1=CC=CC=C1SC)N

Isomeric SMILES

CC(=O)C(C(=O)C(=O)C1=CC=CC=C1SC)N

InChI

InChI=1S/C12H13NO3S/c1-7(14)10(13)12(16)11(15)8-5-3-4-6-9(8)17-2/h3-6,10H,13H2,1-2H3