ethyl 4-(2-bromanyl-5-ethoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-5-ethoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-bromo-5-ethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-bromo-5-ethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-5-ethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-bromo-5-ethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)Br)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)Br)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H21BrN2O3S/c1-3-26-14-10-11-16(22)15(12-14)19-17(20(25)27-4-2)18(23-21(28)24-19)13-8-6-5-7-9-13/h5-12,19H,3-4H2,1-2H3,(H2,23,24,28)