sodium 5-(4-bromophenyl)sulfanyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: sodium 5-(4-bromophenyl)sulfanyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: sodium 5-(4-bromophenyl)sulfanyl-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: sodium 5-[(4-bromophenyl)thio]-2-(methylthio)-4-pyrimidinecarboxylate IUPAC Name: sodium 5-(4-bromophenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: sodium 5-[(4-bromophenyl)thio]-2-(methylthio)pyrimidine-4-carboxylate Formula: C12H8BrN2NaO2S2 MolecularWeight: 379.22789

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)[O-])SC2=CC=C(C=C2)Br.[Na+]

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)[O-])SC2=CC=C(C=C2)Br.[Na+]

InChI

InChI=1S/C12H9BrN2O2S2.Na/c1-18-12-14-6-9(10(15-12)11(16)17)19-8-4-2-7(13)3-5-8;/h2-6H,1H3,(H,16,17);/q;+1/p-1