[2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-yl] 4-tert-butylbenzoate

Systemtic Name: [2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-yl] 4-tert-butylbenzoate Openeye Name: [2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(2,6-dichlorophenyl)methylthio]-6-methyl-4-pyrimidinyl] ester IUPAC Name: [2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[(2,6-dichlorobenzyl)thio]-6-methyl-pyrimidin-4-yl] ester Formula: C23H22Cl2N2O2S MolecularWeight: 461.40398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)Cl)OC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)Cl)OC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H22Cl2N2O2S/c1-14-12-20(29-21(28)15-8-10-16(11-9-15)23(2,3)4)27-22(26-14)30-13-17-18(24)6-5-7-19(17)25/h5-12H,13H2,1-4H3