3-chloranyl-5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-propanoyl-cyclohex-2-en-1-one

Systemtic Name: 3-chloranyl-5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-propanoyl-cyclohex-2-en-1-one Openeye Name: 3-chloro-5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-propanoyl-cyclohex-2-en-1-one CAS Name: 3-chloro-5-[1,3-dimethyl-5-(methylthio)-4-pyrazolyl]-2-(1-oxopropyl)-1-cyclohex-2-enone IUPAC Name: 3-chloro-5-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)-2-propanoylcyclohex-2-en-1-one Traditional Name: 3-chloro-5-[1,3-dimethyl-5-(methylthio)pyrazol-4-yl]-2-propionyl-cyclohex-2-en-1-one Formula: C15H19ClN2O2S MolecularWeight: 326.84156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CC(CC1=O)C2=C(N(N=C2C)C)SC)Cl

Isomeric SMILES

CCC(=O)C1=C(CC(CC1=O)C2=C(N(N=C2C)C)SC)Cl

InChI

InChI=1S/C15H19ClN2O2S/c1-5-11(19)14-10(16)6-9(7-12(14)20)13-8(2)17-18(3)15(13)21-4/h9H,5-7H2,1-4H3