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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)C#N

InChI

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