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

Systemtic Name: (5Z)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[(1-tert-butylpyrrol-2-yl)methylene]-1-(4-methoxyphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[(1-tert-butyl-2-pyrrolyl)methylidene]-1-(4-methoxyphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[(1-tert-butylpyrrol-2-yl)methylene]-6-keto-1-(4-methoxyphenyl)-2-thioxo-pyrimidin-4-olate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC=C1C=C2C(=NC(=S)N(C2=O)C3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CC(C)(C)N1C=CC=C1/C=C\2/C(=NC(=S)N(C2=O)C3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-20(2,3)22-11-5-6-14(22)12-16-17(24)21-19(27)23(18(16)25)13-7-9-15(26-4)10-8-13/h5-12H,1-4H3,(H,21,24,27)/p-1/b16-12-