2-(2-dimethylaminoethylsulfanylmethyl)-1-pyridin-3-yl-pentane-1,4-dione

Systemtic Name: 2-(2-dimethylaminoethylsulfanylmethyl)-1-pyridin-3-yl-pentane-1,4-dione Openeye Name: 2-(2-dimethylaminoethylsulfanylmethyl)-1-(3-pyridyl)pentane-1,4-dione CAS Name: 2-[(2-dimethylaminoethylthio)methyl]-1-(3-pyridinyl)pentane-1,4-dione IUPAC Name: 2-(2-dimethylaminoethylsulfanylmethyl)-1-pyridin-3-ylpentane-1,4-dione Traditional Name: 2-[(2-dimethylaminoethylthio)methyl]-1-(3-pyridyl)pentane-1,4-dione Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CSCCN(C)C)C(=O)C1=CN=CC=C1

Isomeric SMILES

CC(=O)CC(CSCCN(C)C)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C15H22N2O2S/c1-12(18)9-14(11-20-8-7-17(2)3)15(19)13-5-4-6-16-10-13/h4-6,10,14H,7-9,11H2,1-3H3