4,4-dimethyl-2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-pentanenitrile Openeye Name: 2-[3-allyl-5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]-4-oxo-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-2-[5-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]-3-oxopentanenitrile IUPAC Name: 4,4-dimethyl-2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-oxopentanenitrile Traditional Name: 2-[3-allyl-4-keto-5-[3-nitro-4-(2-pyrimidylthio)benzylidene]thiazolidin-2-ylidene]-3-keto-4,4-dimethyl-valeronitrile Formula: C24H21N5O4S2 MolecularWeight: 507.58464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C1N(C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])S1)CC=C)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(=C1N(C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])S1)CC=C)C#N

InChI

InChI=1S/C24H21N5O4S2/c1-5-11-28-21(31)19(34-22(28)16(14-25)20(30)24(2,3)4)13-15-7-8-18(17(12-15)29(32)33)35-23-26-9-6-10-27-23/h5-10,12-13H,1,11H2,2-4H3