2-(3-methoxyphenyl)-4-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: 2-(3-methoxyphenyl)-4-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(3-methoxyphenyl)-4-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]oxazol-5-one CAS Name: 2-(3-methoxyphenyl)-4-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]-5-oxazolone IUPAC Name: 2-(3-methoxyphenyl)-4-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(3-methoxyphenyl)-4-[3-nitro-4-(2-pyrimidylthio)benzylidene]-2-oxazolin-5-one Formula: C21H14N4O5S MolecularWeight: 434.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C21H14N4O5S/c1-29-15-5-2-4-14(12-15)19-24-16(20(26)30-19)10-13-6-7-18(17(11-13)25(27)28)31-21-22-8-3-9-23-21/h2-12H,1H3