(5Z)-1-(2-ethylphenyl)-6-oxidanylidene-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(2-ethylphenyl)-6-oxidanylidene-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(2-ethylphenyl)-6-oxo-5-[[5-(1-piperidyl)-2-furyl]methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(2-ethylphenyl)-6-oxo-5-[[5-(1-piperidinyl)-2-furanyl]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(2-ethylphenyl)-6-oxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-(2-ethylphenyl)-6-keto-5-[(5-piperidino-2-furyl)methylene]-2-thioxo-pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)N4CCCCC4)C(=NC2=S)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=C(O3)N4CCCCC4)/C(=NC2=S)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-2-15-8-4-5-9-18(15)25-21(27)17(20(26)23-22(25)29)14-16-10-11-19(28-16)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,26,29)/p-1/b17-14-