(5Z)-6-oxidanylidene-4-phenyl-5-(phenylhydrazinylidene)-3-(thiolan-1-ium-1-yl)pyridin-2-olate

Systemtic Name: (5Z)-6-oxidanylidene-4-phenyl-5-(phenylhydrazinylidene)-3-(thiolan-1-ium-1-yl)pyridin-2-olate Openeye Name: (5Z)-6-oxo-4-phenyl-5-(phenylhydrazono)-3-tetrahydrothiophen-1-ium-1-yl-pyridin-2-olate CAS Name: (5Z)-6-oxo-4-phenyl-5-(phenylhydrazinylidene)-3-(1-thiolan-1-iumyl)-2-pyridinolate IUPAC Name: (5Z)-6-oxo-4-phenyl-5-(phenylhydrazinylidene)-3-(thiolan-1-ium-1-yl)pyridin-2-olate Traditional Name: (5Z)-6-keto-4-phenyl-5-(phenylhydrazono)-3-tetrahydrothiophen-1-ium-1-yl-pyridin-2-olate Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)C2=C(C(=NNC3=CC=CC=C3)C(=O)N=C2[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC[S+](C1)C2=C(/C(=N/NC3=CC=CC=C3)/C(=O)N=C2[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c25-20-18(24-23-16-11-5-2-6-12-16)17(15-9-3-1-4-10-15)19(21(26)22-20)27-13-7-8-14-27/h1-6,9-12H,7-8,13-14H2,(H-,22,23,25,26)