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

Systemtic Name: 5-azanyl-1-(2-methylsulfanylphenyl)pentane-1,2,3-trione Openeye Name: 5-amino-1-(2-methylsulfanylphenyl)pentane-1,2,3-trione CAS Name: 5-amino-1-[2-(methylthio)phenyl]pentane-1,2,3-trione IUPAC Name: 5-amino-1-(2-methylsulfanylphenyl)pentane-1,2,3-trione Traditional Name: 5-amino-1-[2-(methylthio)phenyl]pentane-1,2,3-trione Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C(=O)C(=O)CCN

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C(=O)C(=O)CCN

InChI

InChI=1S/C12H13NO3S/c1-17-10-5-3-2-4-8(10)11(15)12(16)9(14)6-7-13/h2-5H,6-7,13H2,1H3