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

Systemtic Name: sodium 5-(4-methylphenyl)sulfanyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: sodium 2-methylsulfanyl-5-(p-tolylsulfanyl)pyrimidine-4-carboxylate CAS Name: sodium 5-[(4-methylphenyl)thio]-2-(methylthio)-4-pyrimidinecarboxylate IUPAC Name: sodium 5-(4-methylphenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: sodium 2-(methylthio)-5-(p-tolylthio)pyrimidine-4-carboxylate Formula: C13H11N2NaO2S2 MolecularWeight: 314.35841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)[O-])SC.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)[O-])SC.[Na+]

InChI

InChI=1S/C13H12N2O2S2.Na/c1-8-3-5-9(6-4-8)19-10-7-14-13(18-2)15-11(10)12(16)17;/h3-7H,1-2H3,(H,16,17);/q;+1/p-1