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

Systemtic Name: 5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H14N4O2S/c1-9-12(8-13-14(21)17-16(23)18-15(13)22)10(2)20(19-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,17,18,21,22,23)