5-(4-chloranylphenoxy)-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-(4-chloranylphenoxy)-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(4-chlorophenoxy)-6-methyl-1H-pyrimidin-4-one CAS Name: 5-(4-chlorophenoxy)-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(4-chlorophenoxy)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(4-chlorophenoxy)-6-methyl-1H-pyrimidin-4-one Formula: C18H15ClN2O2S MolecularWeight: 358.8419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O2S/c1-12-16(23-15-9-7-14(19)8-10-15)17(22)21-18(20-12)24-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22)