(2E)-2-[cyclopropyl(oxidanyl)methylidene]-4-(1-ethyl-3-methyl-5-methylsulfinyl-pyrazol-4-yl)cyclohexane-1,3-dione

Systemtic Name: (2E)-2-[cyclopropyl(oxidanyl)methylidene]-4-(1-ethyl-3-methyl-5-methylsulfinyl-pyrazol-4-yl)cyclohexane-1,3-dione Openeye Name: (2E)-2-[cyclopropyl(hydroxy)methylene]-4-(1-ethyl-3-methyl-5-methylsulfinyl-pyrazol-4-yl)cyclohexane-1,3-dione CAS Name: (2E)-2-[cyclopropyl(hydroxy)methylidene]-4-(1-ethyl-3-methyl-5-methylsulfinyl-4-pyrazolyl)cyclohexane-1,3-dione IUPAC Name: (2E)-2-[cyclopropyl(hydroxy)methylidene]-4-(1-ethyl-3-methyl-5-methylsulfinylpyrazol-4-yl)cyclohexane-1,3-dione Traditional Name: (2E)-2-[cyclopropyl(hydroxy)methylene]-4-(1-ethyl-3-methyl-5-methylsulfinyl-pyrazol-4-yl)cyclohexane-1,3-quinone Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C2CCC(=O)C(=C(C3CC3)O)C2=O)S(=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C2CCC(=O)/C(=C(/C3CC3)\O)/C2=O)S(=O)C

InChI

InChI=1S/C17H22N2O4S/c1-4-19-17(24(3)23)13(9(2)18-19)11-7-8-12(20)14(16(11)22)15(21)10-5-6-10/h10-11,21H,4-8H2,1-3H3/b15-14+