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

Systemtic Name: 4,4-dimethyl-3-oxidanylidene-2-[4-oxidanylidene-5-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]pentanenitrile Openeye Name: 2-[3-allyl-4-oxo-5-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methylene]thiazolidin-2-ylidene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-3-oxo-2-[4-oxo-5-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-3-prop-2-enyl-2-thiazolidinylidene]pentanenitrile IUPAC Name: 4,4-dimethyl-3-oxo-2-[4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]pentanenitrile Traditional Name: 2-[3-allyl-4-keto-5-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methylene]thiazolidin-2-ylidene]-3-keto-4,4-dimethyl-valeronitrile Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C1N(C(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)S1)CC=C)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(=C1N(C(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)S1)CC=C)C#N

InChI

InChI=1S/C28H25N5O2S/c1-5-14-32-26(35)23(36-27(32)22(16-29)25(34)28(2,3)4)15-20-18-33(21-11-7-6-8-12-21)31-24(20)19-10-9-13-30-17-19/h5-13,15,17-18H,1,14H2,2-4H3