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

Systemtic Name: 1-[4-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O3S/c1-4-11-29-22-17(24)12-16(13-18(22)28-5-2)21-19(14(3)27)20(25-23(30)26-21)15-9-7-6-8-10-15/h1,6-10,12-13,21H,5,11H2,2-3H3,(H2,25,26,30)