5,5-dimethyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]cyclohexane-1,3-quinone Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C22H20N2O2S/c1-22(2)12-18(25)17(19(26)13-22)11-15-14-24(16-7-4-3-5-8-16)23-21(15)20-9-6-10-27-20/h3-11,14H,12-13H2,1-2H3