4,4-dimethyl-2-[3-(2-methylphenyl)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylidene]-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-[3-(2-methylphenyl)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylidene]-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-pentanenitrile Openeye Name: 4,4-dimethyl-2-[3-(o-tolyl)-4-oxo-5-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methylene]thiazolidin-2-ylidene]-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-2-[3-(2-methylphenyl)-4-oxo-5-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-2-thiazolidinylidene]-3-oxopentanenitrile IUPAC Name: 4,4-dimethyl-2-[3-(2-methylphenyl)-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-ylidene]-3-oxopentanenitrile Traditional Name: 3-keto-2-[4-keto-3-(o-tolyl)-5-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methylene]thiazolidin-2-ylidene]-4,4-dimethyl-valeronitrile Formula: C32H27N5O2S MolecularWeight: 545.65408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)SC2=C(C#N)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)SC2=C(C#N)C(=O)C(C)(C)C

InChI

InChI=1S/C32H27N5O2S/c1-21-11-8-9-15-26(21)37-30(39)27(40-31(37)25(18-33)29(38)32(2,3)4)17-23-20-36(24-13-6-5-7-14-24)35-28(23)22-12-10-16-34-19-22/h5-17,19-20H,1-4H3