2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-4-oxidanylidene-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-3-pyrrolidin-1-yl-propanenitrile

Systemtic Name: 2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-4-oxidanylidene-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-3-pyrrolidin-1-yl-propanenitrile Openeye Name: 2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]-4-oxo-3-phenyl-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-yl-propanenitrile CAS Name: 2-[5-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]-4-oxo-3-phenyl-2-thiazolidinylidene]-3-oxo-3-(1-pyrrolidinyl)propanenitrile IUPAC Name: 2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile Traditional Name: 3-keto-2-[4-keto-5-[3-nitro-4-(2-pyrimidylthio)benzylidene]-3-phenyl-thiazolidin-2-ylidene]-3-pyrrolidino-propionitrile Formula: C27H20N6O4S2 MolecularWeight: 556.6155

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=C2N(C(=O)C(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])S2)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(C1)C(=O)C(=C2N(C(=O)C(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])S2)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H20N6O4S2/c28-17-20(24(34)31-13-4-5-14-31)26-32(19-7-2-1-3-8-19)25(35)23(38-26)16-18-9-10-22(21(15-18)33(36)37)39-27-29-11-6-12-30-27/h1-3,6-12,15-16H,4-5,13-14H2