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

Systemtic Name: 5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=NN2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=NN2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C14H10N4O2S/c19-12-10(13(20)17-14(21)16-12)6-9-7-15-18-11(9)8-4-2-1-3-5-8/h1-7H,(H,15,18)(H2,16,17,19,20,21)