5-chloranyl-2-[(3-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[(3-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[(3-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-chlorophenyl)methylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[(3-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(3-chlorobenzyl)thio]pyrimidine-4-carboxylate Formula: C12H7Cl2N2O2S- MolecularWeight: 314.16718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8Cl2N2O2S/c13-8-3-1-2-7(4-8)6-19-12-15-5-9(14)10(16-12)11(17)18/h1-5H,6H2,(H,17,18)/p-1