(5E)-1-(4-methylphenyl)-6-oxidanylidene-5-[(pyridin-1-ium-2-ylmethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-methylphenyl)-6-oxidanylidene-5-[(pyridin-1-ium-2-ylmethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-6-oxo-1-(p-tolyl)-5-[(pyridin-1-ium-2-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-methylphenyl)-6-oxo-5-[(2-pyridin-1-iumylmethylamino)methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-methylphenyl)-6-oxo-5-[(pyridin-1-ium-2-ylmethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-1-(p-tolyl)-5-[(pyridin-1-ium-2-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNCC3=CC=CC=[NH+]3)C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/NCC3=CC=CC=[NH+]3)/C(=NC2=S)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-12-5-7-14(8-6-12)22-17(24)15(16(23)21-18(22)25)11-19-10-13-4-2-3-9-20-13/h2-9,11,19H,10H2,1H3,(H,21,23,25)/b15-11+