(E)-1-ethoxy-2-(3-phenylmethoxypyridin-1-ium-1-yl)-3-sulfanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-ethoxy-2-(3-phenylmethoxypyridin-1-ium-1-yl)-3-sulfanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-2-(3-benzyloxypyridin-1-ium-1-yl)-1-ethoxy-3-sulfanyl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-ethoxy-3-mercapto-2-(3-phenylmethoxy-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-ethoxy-2-(3-phenylmethoxypyridin-1-ium-1-yl)-3-sulfanyl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-(3-benzoxypyridin-1-ium-1-yl)-1-ethoxy-3-mercapto-3-thioxo-prop-1-en-1-olate Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=S)S)[N+]1=CC=CC(=C1)OCC2=CC=CC=C2)[O-]

Isomeric SMILES

CCO/C(=C(\C(=S)S)/[N+]1=CC=CC(=C1)OCC2=CC=CC=C2)/[O-]

InChI

InChI=1S/C17H17NO3S2/c1-2-20-16(19)15(17(22)23)18-10-6-9-14(11-18)21-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H-,19,22,23)