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

Systemtic Name: ethyl 4-(3-bromanyl-5-chloranyl-2-methoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-bromo-5-chloro-2-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-5-chloro-2-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-5-chloro-2-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-5-chloro-2-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18BrClN2O3S MolecularWeight: 481.79052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2OC)Br)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2OC)Br)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18BrClN2O3S/c1-3-27-19(25)15-16(11-7-5-4-6-8-11)23-20(28)24-17(15)13-9-12(22)10-14(21)18(13)26-2/h4-10,17H,3H2,1-2H3,(H2,23,24,28)