methyl 6-methyl-4-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-4-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=S)N3)C)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=S)N3)C)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-14-9-11-16(12-10-14)20-18(13-27(26-20)17-7-5-4-6-8-17)21-19(22(28)29-3)15(2)24-23(30)25-21/h4-13,21H,1-3H3,(H2,24,25,30)