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

Systemtic Name: (5E)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-1-(4-ethoxyphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-1-(4-ethoxyphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-1-(4-ethoxyphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(4-ethoxyphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-6-keto-1-p-phenetyl-2-thioxo-pyrimidin-4-olate Formula: C24H21N4O3S- MolecularWeight: 445.51354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CN=CC=C4)C)C(=NC2=S)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CN=CC=C4)C)/C(=NC2=S)[O-]

InChI

InChI=1S/C24H22N4O3S/c1-4-31-20-9-7-18(8-10-20)28-23(30)21(22(29)26-24(28)32)13-17-12-15(2)27(16(17)3)19-6-5-11-25-14-19/h5-14H,4H2,1-3H3,(H,26,29,32)/p-1/b21-13+