2-[(2-chlorophenyl)methylsulfanyl]-3-(diphenylmethyl)-6-phenyl-pyrimidin-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(diphenylmethyl)-6-phenyl-pyrimidin-4-one Openeye Name: 3-benzhydryl-2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(diphenylmethyl)-6-phenyl-4-pyrimidinone IUPAC Name: 3-benzhydryl-2-[(2-chlorophenyl)methylsulfanyl]-6-phenylpyrimidin-4-one Traditional Name: 3-benzhydryl-2-[(2-chlorobenzyl)thio]-6-phenyl-pyrimidin-4-one Formula: C30H23ClN2OS MolecularWeight: 495.03442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)SCC3=CC=CC=C3Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)SCC3=CC=CC=C3Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H23ClN2OS/c31-26-19-11-10-18-25(26)21-35-30-32-27(22-12-4-1-5-13-22)20-28(34)33(30)29(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-20,29H,21H2