(4-cyanophenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (4-cyanophenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (4-cyanophenyl) 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid (4-cyanophenyl) ester Formula: C13H8ClN3O4S MolecularWeight: 337.73832

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C13H8ClN3O4S/c1-22(19,20)13-16-7-10(14)11(17-13)12(18)21-9-4-2-8(6-15)3-5-9/h2-5,7H,1H3