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

Systemtic Name: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C17H21N3O2S/c1-10-8-12(9-14-15(21)18-17(23)19-16(14)22)11(2)20(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H2,18,19,21,22,23)/p-1