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

Systemtic Name: 5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-1-[(4-fluorophenyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorobenzyl)-5-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H20FN5O3S MolecularWeight: 465.500003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN5O3S/c1-14-19(22(32)29(27(14)2)17-6-4-3-5-7-17)25-12-18-20(30)26-23(33)28(21(18)31)13-15-8-10-16(24)11-9-15/h3-12,25H,13H2,1-2H3,(H,26,30,33)