(5E)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-ethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-ethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-ethyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-ethyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-ethyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-ethyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C19H24N3O2S- MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3CCCCC3)C)C(=NC1=S)[O-]

Isomeric SMILES

CCN1C(=O)/C(=C/C2=C(N(C(=C2)C)C3CCCCC3)C)/C(=NC1=S)[O-]

InChI

InChI=1S/C19H25N3O2S/c1-4-21-18(24)16(17(23)20-19(21)25)11-14-10-12(2)22(13(14)3)15-8-6-5-7-9-15/h10-11,15H,4-9H2,1-3H3,(H,20,23,25)/p-1/b16-11+