3-[2-(4-chloranylphenoxy)ethyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-[2-(4-chlorophenoxy)ethyl]-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-(4-chlorophenoxy)ethyl]-6-phenyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-[2-(4-chlorophenoxy)ethyl]-6-phenylpyrimidin-4-one Traditional Name: 2-(benzylthio)-3-[2-(4-chlorophenoxy)ethyl]-6-phenyl-pyrimidin-4-one Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CCOC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CCOC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O2S/c26-21-11-13-22(14-12-21)30-16-15-28-24(29)17-23(20-9-5-2-6-10-20)27-25(28)31-18-19-7-3-1-4-8-19/h1-14,17H,15-16,18H2