2-[4-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-ketothieno[2,3-d]pyrimidin-3-yl)methyl]phenyl]benzonitrile Formula: C20H13N3OS MolecularWeight: 343.40172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H13N3OS/c21-11-16-3-1-2-4-17(16)15-7-5-14(6-8-15)12-23-13-22-19-18(20(23)24)9-10-25-19/h1-10,13H,12H2