(E)-3-(naphthalen-1-ylmethylsulfanyl)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(naphthalen-1-ylmethylsulfanyl)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(1-naphthylmethylsulfanyl)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(1-naphthalenylmethylthio)-1-phenyl-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(naphthalen-1-ylmethylsulfanyl)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(1-naphthylmethylthio)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C25H19NOS2 MolecularWeight: 413.55446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=S)SCC2=CC=CC3=CC=CC=C32)[N+]4=CC=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/C(=S)SCC2=CC=CC3=CC=CC=C32)\[N+]4=CC=CC=C4)/[O-]

InChI

InChI=1S/C25H19NOS2/c27-24(20-11-3-1-4-12-20)23(26-16-7-2-8-17-26)25(28)29-18-21-14-9-13-19-10-5-6-15-22(19)21/h1-17H,18H2