[2-(1-adamantyl)-2-oxidanylidene-ethyl] thiocyanate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] thiocyanate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] thiocyanate Traditional Name: thiocyanic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC#N

InChI

InChI=1S/C13H17NOS/c14-8-16-7-12(15)13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-7H2