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

Systemtic Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(3,4-dimethylphenyl)-4-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(3,4-dimethylphenyl)-4-[3-nitro-4-(2-pyrimidylthio)benzylidene]-2-oxazolin-5-one Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C(=O)O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N/C(=C\C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])/C(=O)O2)C

InChI

InChI=1S/C22H16N4O4S/c1-13-4-6-16(10-14(13)2)20-25-17(21(27)30-20)11-15-5-7-19(18(12-15)26(28)29)31-22-23-8-3-9-24-22/h3-12H,1-2H3/b17-11-