ethyl 4-methyl-6-(4-methylsulfanylphenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(4-methylsulfanylphenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(4-methylsulfanylphenyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-[4-(methylthio)phenyl]-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(4-methylsulfanylphenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[4-(methylthio)phenyl]-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)SC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)SC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2S2/c1-4-25-20(24)18-14(2)23(16-8-6-5-7-9-16)21(26)22-19(18)15-10-12-17(27-3)13-11-15/h5-13,19H,4H2,1-3H3,(H,22,26)