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

Systemtic Name: 1-[4-(5-bromanyl-2-methoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(5-bromo-2-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(5-bromo-2-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(5-bromo-2-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(5-bromo-2-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O2S/c1-11(23)16-17(12-6-4-3-5-7-12)21-19(25)22-18(16)14-10-13(20)8-9-15(14)24-2/h3-10,18H,1-2H3,(H2,21,22,25)