5-(3-chloranyl-1-ethyl-5-methylsulfanyl-pyrazol-4-yl)-2-[cyclopropyl(oxidanyl)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(3-chloranyl-1-ethyl-5-methylsulfanyl-pyrazol-4-yl)-2-[cyclopropyl(oxidanyl)methylidene]cyclohexane-1,3-dione Openeye Name: 5-(3-chloro-1-ethyl-5-methylsulfanyl-pyrazol-4-yl)-2-[cyclopropyl(hydroxy)methylene]cyclohexane-1,3-dione CAS Name: 5-[3-chloro-1-ethyl-5-(methylthio)-4-pyrazolyl]-2-[cyclopropyl(hydroxy)methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(3-chloro-1-ethyl-5-methylsulfanylpyrazol-4-yl)-2-[cyclopropyl(hydroxy)methylidene]cyclohexane-1,3-dione Traditional Name: 5-[3-chloro-1-ethyl-5-(methylthio)pyrazol-4-yl]-2-[cyclopropyl(hydroxy)methylene]cyclohexane-1,3-quinone Formula: C16H19ClN2O3S MolecularWeight: 354.85166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)Cl)C2CC(=O)C(=C(C3CC3)O)C(=O)C2)SC

Isomeric SMILES

CCN1C(=C(C(=N1)Cl)C2CC(=O)C(=C(C3CC3)O)C(=O)C2)SC

InChI

InChI=1S/C16H19ClN2O3S/c1-3-19-16(23-2)12(15(17)18-19)9-6-10(20)13(11(21)7-9)14(22)8-4-5-8/h8-9,22H,3-7H2,1-2H3