1-pyridin-3-yl-2-sulfanyl-heptane-1,6-dione

Systemtic Name: 1-pyridin-3-yl-2-sulfanyl-heptane-1,6-dione Openeye Name: 1-(3-pyridyl)-2-sulfanyl-heptane-1,6-dione CAS Name: 2-mercapto-1-(3-pyridinyl)heptane-1,6-dione IUPAC Name: 1-pyridin-3-yl-2-sulfanylheptane-1,6-dione Traditional Name: 2-mercapto-1-(3-pyridyl)heptane-1,6-dione Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC(C(=O)C1=CN=CC=C1)S

Isomeric SMILES

CC(=O)CCCC(C(=O)C1=CN=CC=C1)S

InChI

InChI=1S/C12H15NO2S/c1-9(14)4-2-6-11(16)12(15)10-5-3-7-13-8-10/h3,5,7-8,11,16H,2,4,6H2,1H3