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

Systemtic Name: 1-[4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C20H19N3O5S/c1-3-28-15-10-13(9-14(19(15)25)23(26)27)18-16(11(2)24)17(21-20(29)22-18)12-7-5-4-6-8-12/h4-10,18,25H,3H2,1-2H3,(H2,21,22,29)