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

Systemtic Name: 5-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H14N4O3S MolecularWeight: 414.43656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C5C(=O)NC(=S)NC5=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C5C(=O)NC(=S)NC5=O

InChI

InChI=1S/C22H14N4O3S/c27-20-16(21(28)24-22(30)23-20)10-14-12-26(15-7-2-1-3-8-15)25-19(14)18-11-13-6-4-5-9-17(13)29-18/h1-12H,(H2,23,24,27,28,30)