methyl 3-(3-bromophenyl)-4-methyl-6-[1-(phenylmethyl)pyrazol-4-yl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(3-bromophenyl)-4-methyl-6-[1-(phenylmethyl)pyrazol-4-yl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(1-benzylpyrazol-4-yl)-3-(3-bromophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-bromophenyl)-4-methyl-6-[1-(phenylmethyl)-4-pyrazolyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(1-benzylpyrazol-4-yl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(1-benzylpyrazol-4-yl)-3-(3-bromophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H21BrN4O2S MolecularWeight: 497.40744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CN(N=C3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CN(N=C3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H21BrN4O2S/c1-15-20(22(29)30-2)21(26-23(31)28(15)19-10-6-9-18(24)11-19)17-12-25-27(14-17)13-16-7-4-3-5-8-16/h3-12,14,21H,13H2,1-2H3,(H,26,31)