[4-(4-cyanophenyl)phenyl] 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C19H12ClN3O4S MolecularWeight: 413.83428

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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)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H12ClN3O4S/c1-28(25,26)19-22-11-16(20)17(23-19)18(24)27-15-8-6-14(7-9-15)13-4-2-12(10-21)3-5-13/h2-9,11H,1H3