(3,5-dimethylphenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxylic acid (3,5-dimethylphenyl) ester Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC(=CC(=C3)C)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC(=CC(=C3)C)C)Cl

InChI

InChI=1S/C21H19ClN2O2S/c1-13-5-4-6-16(8-13)12-27-21-23-11-18(22)19(24-21)20(25)26-17-9-14(2)7-15(3)10-17/h4-11H,12H2,1-3H3