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

Systemtic Name: (4-cyanophenyl) 5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (4-cyanophenyl) 5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-ethylsulfonyl-4-pyrimidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-esyl-pyrimidine-4-carboxylic acid (4-cyanophenyl) ester Formula: C14H10ClN3O4S MolecularWeight: 351.7649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN3O4S/c1-2-23(20,21)14-17-8-11(15)12(18-14)13(19)22-10-5-3-9(7-16)4-6-10/h3-6,8H,2H2,1H3