5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-[1,3-dimethyl-5-(methylthio)-4-pyrazolyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-[1,3-dimethyl-5-(methylthio)pyrazol-4-yl]-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(N(N=C2C)C)SC)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(N(N=C2C)C)SC)O

InChI

InChI=1S/C15H20N2O3S/c1-5-10(18)14-11(19)6-9(7-12(14)20)13-8(2)16-17(3)15(13)21-4/h9,18H,5-7H2,1-4H3