(phenylmethyl) 1-methyl-4-methylsulfanyl-6-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 1-methyl-4-methylsulfanyl-6-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: benzyl 1-methyl-4-methylsulfanyl-6-oxo-3-phenyl-2-thioxo-pyrimidine-5-carboxylate CAS Name: 1-methyl-4-(methylthio)-6-oxo-3-phenyl-2-sulfanylidene-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-methyl-4-methylsulfanyl-6-oxo-3-phenyl-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 6-keto-1-methyl-4-(methylthio)-3-phenyl-2-thioxo-pyrimidine-5-carboxylic acid benzyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=S)C2=CC=CC=C2)SC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N(C1=S)C2=CC=CC=C2)SC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S2/c1-21-17(23)16(19(24)25-13-14-9-5-3-6-10-14)18(27-2)22(20(21)26)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3