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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C19H12ClN3O2S MolecularWeight: 381.83548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)Cl)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CSC1=NC=C(C(=N1)Cl)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H12ClN3O2S/c1-26-19-22-11-16(17(20)23-19)18(24)25-15-8-6-14(7-9-15)13-4-2-12(10-21)3-5-13/h2-9,11H,1H3