(3R,5S)-1-isothiocyanato-3,5-dimethyl-adamantane

Systemtic Name: (3R,5S)-1-isothiocyanato-3,5-dimethyl-adamantane Openeye Name: (3R,5S)-1-isothiocyanato-3,5-dimethyl-adamantane CAS Name: (3R,5S)-1-isothiocyanato-3,5-dimethyladamantane IUPAC Name: (3R,5S)-1-isothiocyanato-3,5-dimethyladamantane Traditional Name: (3R,5S)-1-isothiocyanato-3,5-dimethyl-adamantane Formula: C13H19NS MolecularWeight: 221.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N=C=S)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N=C=S)C

InChI

InChI=1S/C13H19NS/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h10H,3-8H2,1-2H3/t10?,11-,12+,13?