4-[(4-chlorophenyl)methylsulfanyl]-6-[(4-methylphenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-6-[(4-methylphenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-methylsulfanyl-6-(p-tolylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-[(4-chlorophenyl)methylthio]-6-[(4-methylphenyl)methylthio]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-6-[(4-methylphenyl)methylsulfanyl]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-chlorobenzyl)thio]-6-[(4-methylbenzyl)thio]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C21H19ClN2O2S3 MolecularWeight: 463.03576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C(=NC(=N2)SC)SCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C(=NC(=N2)SC)SCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H19ClN2O2S3/c1-13-3-5-14(6-4-13)11-28-18-17(20(25)26)19(24-21(23-18)27-2)29-12-15-7-9-16(22)10-8-15/h3-10H,11-12H2,1-2H3,(H,25,26)