5-(benzimidazol-2-ylidenemethyl)-6-oxidanylidene-2-sulfanylidene-3-(3,4,5-trimethoxyphenyl)pyrimidin-4-olate

Systemtic Name: 5-(benzimidazol-2-ylidenemethyl)-6-oxidanylidene-2-sulfanylidene-3-(3,4,5-trimethoxyphenyl)pyrimidin-4-olate Openeye Name: 5-(benzimidazol-2-ylidenemethyl)-6-oxo-2-thioxo-3-(3,4,5-trimethoxyphenyl)pyrimidin-4-olate CAS Name: 5-(2-benzimidazolylidenemethyl)-6-oxo-2-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-4-pyrimidinolate IUPAC Name: 5-(benzimidazol-2-ylidenemethyl)-6-oxo-2-sulfanylidene-3-(3,4,5-trimethoxyphenyl)pyrimidin-4-olate Traditional Name: 5-(benzimidazol-2-ylidenemethyl)-6-keto-2-thioxo-3-(3,4,5-trimethoxyphenyl)pyrimidin-4-olate Formula: C21H17N4O5S- MolecularWeight: 437.44848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C(=C(C(=O)NC2=S)C=C3N=C4C=CC=CC4=N3)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2C(=C(C(=O)NC2=S)C=C3N=C4C=CC=CC4=N3)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-28-15-8-11(9-16(29-2)18(15)30-3)25-20(27)12(19(26)24-21(25)31)10-17-22-13-6-4-5-7-14(13)23-17/h4-10,27H,1-3H3,(H,24,26,31)/p-1