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

Systemtic Name: 5-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c1-2-14-8-10-15(11-9-14)19-16(12-18-20(27)23-22(29)24-21(18)28)13-26(25-19)17-6-4-3-5-7-17/h3-13H,2H2,1H3,(H2,23,24,27,28,29)