2-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-pyrimidine-5-carboxylate

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-pyrimidine-5-carboxylate Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-pyrimidine-5-carboxylate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-4-methyl-5-pyrimidinecarboxylate IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-methylpyrimidine-5-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-4-methyl-pyrimidine-5-carboxylate Formula: C13H9Cl2N2O2S- MolecularWeight: 328.19376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)[O-])SCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=NC(=NC=C1C(=O)[O-])SCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2N2O2S/c1-7-9(12(18)19)5-16-13(17-7)20-6-8-2-3-10(14)11(15)4-8/h2-5H,6H2,1H3,(H,18,19)/p-1