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

Systemtic Name: 1-[4-(3-ethoxy-2-nitro-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3-ethoxy-4-hydroxy-2-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=C(C=CC(=C1[N+](=O)[O-])C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1[N+](=O)[O-])C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)O

InChI

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