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

Systemtic Name: 1-[4-(3-bromanyl-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3-bromo-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-bromo-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-bromo-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3-bromo-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C18H15BrN2O2S MolecularWeight: 403.2929

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)O)Br)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)O)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H15BrN2O2S/c1-10(22)15-16(11-5-3-2-4-6-11)20-18(24)21-17(15)12-7-8-14(23)13(19)9-12/h2-9,17,23H,1H3,(H2,20,21,24)