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

Systemtic Name: methyl 6-(4-bromophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(4-bromophenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-bromophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-bromophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-bromophenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C21H21BrN2O2S/c1-3-7-17-18(20(25)26-2)19(14-10-12-15(22)13-11-14)23-21(27)24(17)16-8-5-4-6-9-16/h4-6,8-13,19H,3,7H2,1-2H3,(H,23,27)