1-ethyl-3-isothiocyanato-adamantane

Systemtic Name: 1-ethyl-3-isothiocyanato-adamantane Openeye Name: 1-ethyl-3-isothiocyanato-adamantane CAS Name: 1-ethyl-3-isothiocyanatoadamantane IUPAC Name: 1-ethyl-3-isothiocyanatoadamantane Traditional Name: 1-ethyl-3-isothiocyanato-adamantane Formula: C13H19NS MolecularWeight: 221.36166

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC3CC(C1)CC(C3)(C2)N=C=S

Isomeric SMILES

CCC12CC3CC(C1)CC(C3)(C2)N=C=S

InChI

InChI=1S/C13H19NS/c1-2-12-4-10-3-11(5-12)7-13(6-10,8-12)14-9-15/h10-11H,2-8H2,1H3