1-[4-(3-bromanyl-2-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(3-bromanyl-2-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3-bromo-2-chloro-5-ethoxy-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-bromo-2-chloro-5-ethoxy-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-bromo-2-chloro-5-ethoxy-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3-bromo-2-chloro-5-ethoxy-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C20H18BrClN2O3S MolecularWeight: 481.79052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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