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

Systemtic Name: 2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-3-piperidin-1-yl-propanenitrile Openeye Name: 2-[3-allyl-5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]-4-oxo-thiazolidin-2-ylidene]-3-oxo-3-(1-piperidyl)propanenitrile CAS Name: 2-[5-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]-3-oxo-3-(1-piperidinyl)propanenitrile IUPAC Name: 2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile Traditional Name: 2-[3-allyl-4-keto-5-[3-nitro-4-(2-pyrimidylthio)benzylidene]thiazolidin-2-ylidene]-3-keto-3-piperidino-propionitrile Formula: C25H22N6O4S2 MolecularWeight: 534.60998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])SC1=C(C#N)C(=O)N4CCCCC4

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])SC1=C(C#N)C(=O)N4CCCCC4

InChI

InChI=1S/C25H22N6O4S2/c1-2-11-30-23(33)21(36-24(30)18(16-26)22(32)29-12-4-3-5-13-29)15-17-7-8-20(19(14-17)31(34)35)37-25-27-9-6-10-28-25/h2,6-10,14-15H,1,3-5,11-13H2