S-ethyl 2-(4-chlorophenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carbothioate

Systemtic Name: S-ethyl 2-(4-chlorophenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carbothioate Openeye Name: S-ethyl 2-(4-chlorophenyl)-4-methyl-6-(p-tolylmethylsulfanyl)pyrimidine-5-carbothioate CAS Name: 2-(4-chlorophenyl)-4-methyl-6-[(4-methylphenyl)methylthio]-5-pyrimidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 2-(4-chlorophenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carbothioate Traditional Name: 2-(4-chlorophenyl)-4-methyl-6-[(4-methylbenzyl)thio]pyrimidine-5-carbothioic acid S-ethyl ester Formula: C22H21ClN2OS2 MolecularWeight: 428.99794

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(N=C(N=C1SCC2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCSC(=O)C1=C(N=C(N=C1SCC2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H21ClN2OS2/c1-4-27-22(26)19-15(3)24-20(17-9-11-18(23)12-10-17)25-21(19)28-13-16-7-5-14(2)6-8-16/h5-12H,4,13H2,1-3H3