3-cyano-2-phenyl-5-pyridin-1-ium-1-yl-6-sulfanylidene-1H-pyridin-4-olate

Systemtic Name: 3-cyano-2-phenyl-5-pyridin-1-ium-1-yl-6-sulfanylidene-1H-pyridin-4-olate Openeye Name: 3-cyano-2-phenyl-5-pyridin-1-ium-1-yl-6-thioxo-1H-pyridin-4-olate CAS Name: 3-cyano-2-phenyl-5-(1-pyridin-1-iumyl)-6-sulfanylidene-1H-pyridin-4-olate IUPAC Name: 3-cyano-2-phenyl-5-pyridin-1-ium-1-yl-6-sulfanylidene-1H-pyridin-4-olate Traditional Name: 3-cyano-2-phenyl-5-pyridin-1-ium-1-yl-6-thioxo-1H-pyridin-4-olate Formula: C17H11N3OS MolecularWeight: 305.35374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=S)N2)[N+]3=CC=CC=C3)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=S)N2)[N+]3=CC=CC=C3)[O-])C#N

InChI

InChI=1S/C17H11N3OS/c18-11-13-14(12-7-3-1-4-8-12)19-17(22)15(16(13)21)20-9-5-2-6-10-20/h1-10H,(H-,19,21,22)