O-ethyl 1-cyanononan-3-ylsulfanylmethanethioate

Systemtic Name: O-ethyl 1-cyanononan-3-ylsulfanylmethanethioate Openeye Name: O-ethyl 1-(2-cyanoethyl)heptylsulfanylmethanethioate CAS Name: (1-cyanononan-3-ylthio)methanethioic acid O-ethyl ester IUPAC Name: O-ethyl 1-cyanononan-3-ylsulfanylmethanethioate Traditional Name: [1-(2-cyanoethyl)heptylthio]methanethioic acid O-ethyl ester Formula: C13H23NOS2 MolecularWeight: 273.45782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC#N)SC(=S)OCC

Isomeric SMILES

CCCCCCC(CCC#N)SC(=S)OCC

InChI

InChI=1S/C13H23NOS2/c1-3-5-6-7-9-12(10-8-11-14)17-13(16)15-4-2/h12H,3-10H2,1-2H3