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

Systemtic Name: 3-cyano-2-methyl-1-phenyl-5-pyridin-1-ium-1-yl-6-sulfanylidene-pyridin-4-olate Openeye Name: 3-cyano-2-methyl-1-phenyl-5-pyridin-1-ium-1-yl-6-thioxo-pyridin-4-olate CAS Name: 3-cyano-2-methyl-1-phenyl-5-(1-pyridin-1-iumyl)-6-sulfanylidene-4-pyridinolate IUPAC Name: 3-cyano-2-methyl-1-phenyl-5-pyridin-1-ium-1-yl-6-sulfanylidenepyridin-4-olate Traditional Name: 3-cyano-2-methyl-1-phenyl-5-pyridin-1-ium-1-yl-6-thioxo-pyridin-4-olate Formula: C18H13N3OS MolecularWeight: 319.38032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=S)N1C2=CC=CC=C2)[N+]3=CC=CC=C3)[O-])C#N

Isomeric SMILES

CC1=C(C(=C(C(=S)N1C2=CC=CC=C2)[N+]3=CC=CC=C3)[O-])C#N

InChI

InChI=1S/C18H13N3OS/c1-13-15(12-19)17(22)16(20-10-6-3-7-11-20)18(23)21(13)14-8-4-2-5-9-14/h2-11H,1H3