(5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-ethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-ethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylene]-1-(4-ethylphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(1-tert-butyl-2-pyrrolyl)methylidene]-1-(4-ethylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-ethylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylene]-1-(4-ethylphenyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C21H22N3O2S- MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C(C)(C)C)C(=NC2=S)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CN3C(C)(C)C)/C(=NC2=S)[O-]

InChI

InChI=1S/C21H23N3O2S/c1-5-14-8-10-15(11-9-14)24-19(26)17(18(25)22-20(24)27)13-16-7-6-12-23(16)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,25,27)/p-1/b17-13+