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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[5-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 3-[[5-(4-chlorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 3-[[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 3-[[5-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Formula: C20H12ClN3OS MolecularWeight: 377.84678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C20H12ClN3OS/c21-16-6-4-15(5-7-16)17-11-26-19-18(17)20(25)24(12-23-19)10-14-3-1-2-13(8-14)9-22/h1-8,11-12H,10H2