(1-chloranyl-4-oxidanylidene-pentan-3-yl) thiocyanate

Systemtic Name: (1-chloranyl-4-oxidanylidene-pentan-3-yl) thiocyanate Openeye Name: [1-(2-chloroethyl)-2-oxo-propyl] thiocyanate CAS Name: thiocyanic acid (1-chloro-4-oxopentan-3-yl) ester IUPAC Name: (1-chloro-4-oxopentan-3-yl) thiocyanate Traditional Name: thiocyanic acid [1-(2-chloroethyl)-2-keto-propyl] ester Formula: C6H8ClNOS MolecularWeight: 177.65182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCl)SC#N

Isomeric SMILES

CC(=O)C(CCCl)SC#N

InChI

InChI=1S/C6H8ClNOS/c1-5(9)6(2-3-7)10-4-8/h6H,2-3H2,1H3