ethyl 6-methyl-4-[4-(4-methylphenyl)sulfanylphenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[4-(4-methylphenyl)sulfanylphenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[4-(p-tolylsulfanyl)phenyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[4-[(4-methylphenyl)thio]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[4-(4-methylphenyl)sulfanylphenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-[4-(p-tolylthio)phenyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)SC3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)SC3=CC=C(C=C3)C)C

InChI

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