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

Systemtic Name: 1-butyl-5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=S

InChI

InChI=1S/C20H23N5O3S/c1-4-5-11-24-18(27)15(17(26)22-20(24)29)12-21-16-13(2)23(3)25(19(16)28)14-9-7-6-8-10-14/h6-10,12,21H,4-5,11H2,1-3H3,(H,22,26,29)