[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-yl] 4-tert-butylbenzoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-yl] 4-tert-butylbenzoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(2-chloro-6-fluorophenyl)methylthio]-5,6-dimethyl-4-pyrimidinyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,6-dimethylpyrimidin-4-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[(2-chloro-6-fluoro-benzyl)thio]-5,6-dimethyl-pyrimidin-4-yl] ester Formula: C24H24ClFN2O2S MolecularWeight: 458.975963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1OC(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC1=C(N=C(N=C1OC(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C24H24ClFN2O2S/c1-14-15(2)27-23(31-13-18-19(25)7-6-8-20(18)26)28-21(14)30-22(29)16-9-11-17(12-10-16)24(3,4)5/h6-12H,13H2,1-5H3