2-[2-(2-chloranyl-3,6-dimethyl-phenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2-chloranyl-3,6-dimethyl-phenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-chloro-3,6-dimethyl-phenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-(2-chloro-3,6-dimethylphenoxy)ethylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-chloro-3,6-dimethylphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[2-(2-chloro-3,6-dimethyl-phenoxy)ethylthio]-6-methyl-1H-pyrimidin-4-one Formula: C15H17ClN2O2S MolecularWeight: 324.82568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)Cl)OCCSC2=NC(=O)C=C(N2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)Cl)OCCSC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C15H17ClN2O2S/c1-9-4-5-10(2)14(13(9)16)20-6-7-21-15-17-11(3)8-12(19)18-15/h4-5,8H,6-7H2,1-3H3,(H,17,18,19)