2-[[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methoxy]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methoxy]benzenecarbonitrile Openeye Name: 2-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methoxy]benzonitrile CAS Name: 2-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methoxy]benzonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methoxy]benzonitrile Traditional Name: 2-[[5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methoxy]benzonitrile Formula: C20H12ClN3O2S MolecularWeight: 393.84618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

InChI

InChI=1S/C20H12ClN3O2S/c21-14-7-5-12(6-8-14)15-11-27-20-18(15)19(25)23-17(24-20)10-26-16-4-2-1-3-13(16)9-22/h1-8,11H,10H2,(H,23,24,25)