2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butyronitrile Formula: C25H19N5O2S MolecularWeight: 453.51566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H19N5O2S/c1-28-19-10-6-7-11-20(19)29(2)24(28)17(12-26)21(31)13-30-15-27-23-22(25(30)32)18(14-33-23)16-8-4-3-5-9-16/h3-11,14-15H,13H2,1-2H3