5-cyano-2-oxidanylidene-3-pyridin-1-ium-1-yl-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-olate

Systemtic Name: 5-cyano-2-oxidanylidene-3-pyridin-1-ium-1-yl-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: 5-cyano-2-oxo-3-pyridin-1-ium-1-yl-4-(3-thienyl)-3,4-dihydro-1H-pyridin-6-olate CAS Name: 5-cyano-2-oxo-3-(1-pyridin-1-iumyl)-4-(3-thiophenyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: 5-cyano-2-oxo-3-pyridin-1-ium-1-yl-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: 5-cyano-2-keto-3-pyridin-1-ium-1-yl-4-(3-thienyl)-3,4-dihydro-1H-pyridin-6-olate Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(=C(NC2=O)[O-])C#N)C3=CSC=C3

Isomeric SMILES

C1=CC=[N+](C=C1)C2C(C(=C(NC2=O)[O-])C#N)C3=CSC=C3

InChI

InChI=1S/C15H11N3O2S/c16-8-11-12(10-4-7-21-9-10)13(15(20)17-14(11)19)18-5-2-1-3-6-18/h1-7,9,12-13H,(H-,17,19,20)