(5-ethenyl-2-ethyl-pyridin-3-yl) benzoate; sulfane

Systemtic Name: (5-ethenyl-2-ethyl-pyridin-3-yl) benzoate; sulfane Openeye Name: (2-ethyl-5-vinyl-3-pyridyl) benzoate; hydrogen sulfide CAS Name: benzoic acid (5-ethenyl-2-ethyl-3-pyridinyl) ester; sulfane IUPAC Name: (5-ethenyl-2-ethylpyridin-3-yl) benzoate; sulfane Traditional Name: benzoic acid (2-ethyl-5-vinyl-3-pyridyl) ester; hydrogen sulfide Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=N1)C=C)OC(=O)C2=CC=CC=C2.S

Isomeric SMILES

CCC1=C(C=C(C=N1)C=C)OC(=O)C2=CC=CC=C2.S

InChI

InChI=1S/C16H15NO2.H2S/c1-3-12-10-15(14(4-2)17-11-12)19-16(18)13-8-6-5-7-9-13;/h3,5-11H,1,4H2,2H3;1H2