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

Systemtic Name: (5E)-6-oxidanylidene-1-phenyl-5-[(pyridin-1-ium-2-ylmethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-6-oxo-1-phenyl-5-[(pyridin-1-ium-2-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-6-oxo-1-phenyl-5-[(2-pyridin-1-iumylmethylamino)methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-6-oxo-1-phenyl-5-[(pyridin-1-ium-2-ylmethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-1-phenyl-5-[(pyridin-1-ium-2-ylmethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O2S/c22-15-14(11-18-10-12-6-4-5-9-19-12)16(23)21(17(24)20-15)13-7-2-1-3-8-13/h1-9,11,18H,10H2,(H,20,22,24)/b14-11+