(5E)-6-oxidanylidene-1-prop-2-enyl-5-[[[4-(pyridin-1-ium-4-ylmethyl)phenyl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-6-oxidanylidene-1-prop-2-enyl-5-[[[4-(pyridin-1-ium-4-ylmethyl)phenyl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-allyl-6-oxo-5-[[4-(pyridin-1-ium-4-ylmethyl)anilino]methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-6-oxo-1-prop-2-enyl-5-[[4-(4-pyridin-1-iumylmethyl)anilino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-6-oxo-1-prop-2-enyl-5-[[4-(pyridin-1-ium-4-ylmethyl)anilino]methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-allyl-6-keto-5-[[4-(pyridin-1-ium-4-ylmethyl)anilino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CNC2=CC=C(C=C2)CC3=CC=[NH+]C=C3)C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C/NC2=CC=C(C=C2)CC3=CC=[NH+]C=C3)/C(=NC1=S)[O-]

InChI

InChI=1S/C20H18N4O2S/c1-2-11-24-19(26)17(18(25)23-20(24)27)13-22-16-5-3-14(4-6-16)12-15-7-9-21-10-8-15/h2-10,13,22H,1,11-12H2,(H,23,25,27)/b17-13+