methyl 4-methyl-3-phenyl-6-(1-phenylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-3-phenyl-6-(1-phenylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-3-phenyl-6-(1-phenylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-phenyl-6-(1-phenyl-4-pyrazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-phenyl-6-(1-phenylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-3-phenyl-6-(1-phenylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CN(N=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CN(N=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H20N4O2S/c1-15-19(21(27)28-2)20(24-22(29)26(15)18-11-7-4-8-12-18)16-13-23-25(14-16)17-9-5-3-6-10-17/h3-14,20H,1-2H3,(H,24,29)