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

Systemtic Name: 5-chloranyl-2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(5-chloro-2-methoxyphenyl)methylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(5-chloro-2-methoxy-benzyl)thio]pyrimidine-4-carboxylate Formula: C13H9Cl2N2O3S- MolecularWeight: 344.19316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H10Cl2N2O3S/c1-20-10-3-2-8(14)4-7(10)6-21-13-16-5-9(15)11(17-13)12(18)19/h2-5H,6H2,1H3,(H,18,19)/p-1