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

Systemtic Name: S-(4-methylphenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carbothioate Openeye Name: S-(p-tolyl) 5-chloro-2-methylsulfonyl-pyrimidine-4-carbothioate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carbothioate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carbothioic acid S-(p-tolyl) ester Formula: C13H11ClN2O3S2 MolecularWeight: 342.82104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C

InChI

InChI=1S/C13H11ClN2O3S2/c1-8-3-5-9(6-4-8)20-12(17)11-10(14)7-15-13(16-11)21(2,18)19/h3-7H,1-2H3