2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]butyronitrile Formula: C23H15N5OS2 MolecularWeight: 441.5281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C23H15N5OS2/c24-10-15(21-27-17-8-4-5-9-18(17)28-21)19(29)12-31-23-20-16(14-6-2-1-3-7-14)11-30-22(20)25-13-26-23/h1-9,11,13,27-28H,12H2