methyl 3-(3-bromophenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(3-bromophenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(3-bromophenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-bromophenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-bromophenyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3-bromophenyl)-6-(4-carbomethoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H19BrN2O4S/c1-12-17(20(26)28-3)18(13-7-9-14(10-8-13)19(25)27-2)23-21(29)24(12)16-6-4-5-15(22)11-16/h4-11,18H,1-3H3,(H,23,29)