5-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H14N4O4S MolecularWeight: 442.44666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=C5C(=O)NC(=S)NC5=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=C5C(=O)NC(=S)NC5=O

InChI

InChI=1S/C23H14N4O4S/c28-20-17(21(29)25-23(32)24-20)11-14-12-27(15-7-2-1-3-8-15)26-19(14)16-10-13-6-4-5-9-18(13)31-22(16)30/h1-12H,(H2,24,25,28,29,32)