3-[(2,4-dichlorophenyl)methyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 3-[(2,4-dichlorophenyl)methyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-[(2,4-dichlorophenyl)methyl]-6-phenyl-pyrimidin-4-one CAS Name: 3-[(2,4-dichlorophenyl)methyl]-6-phenyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-[(2,4-dichlorophenyl)methyl]-6-phenylpyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(2,4-dichlorobenzyl)-6-phenyl-pyrimidin-4-one Formula: C24H18Cl2N2OS MolecularWeight: 453.38352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H18Cl2N2OS/c25-20-12-11-19(21(26)13-20)15-28-23(29)14-22(18-9-5-2-6-10-18)27-24(28)30-16-17-7-3-1-4-8-17/h1-14H,15-16H2