S-(4-methylphenyl) 5-(4-methylphenyl)sulfanyl-2-methylsulfonyl-pyrimidine-4-carbothioate

Systemtic Name: S-(4-methylphenyl) 5-(4-methylphenyl)sulfanyl-2-methylsulfonyl-pyrimidine-4-carbothioate Openeye Name: S-(p-tolyl) 2-methylsulfonyl-5-(p-tolylsulfanyl)pyrimidine-4-carbothioate CAS Name: 5-[(4-methylphenyl)thio]-2-methylsulfonyl-4-pyrimidinecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 5-(4-methylphenyl)sulfanyl-2-methylsulfonylpyrimidine-4-carbothioate Traditional Name: 2-mesyl-5-(p-tolylthio)pyrimidine-4-carbothioic acid S-(p-tolyl) ester Formula: C20H18N2O3S3 MolecularWeight: 430.56352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)SC3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)SC3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C20H18N2O3S3/c1-13-4-8-15(9-5-13)26-17-12-21-20(28(3,24)25)22-18(17)19(23)27-16-10-6-14(2)7-11-16/h4-12H,1-3H3