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

Systemtic Name: 5-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C17H16N4O2S/c1-10-13(8-14-15(22)18-17(24)19-16(14)23)11(2)21(20-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,18,19,22,23,24)