1-isothiocyanato-3,5,7-trimethyl-adamantane

Systemtic Name: 1-isothiocyanato-3,5,7-trimethyl-adamantane Openeye Name: 1-isothiocyanato-3,5,7-trimethyl-adamantane CAS Name: 1-isothiocyanato-3,5,7-trimethyladamantane IUPAC Name: 1-isothiocyanato-3,5,7-trimethyladamantane Traditional Name: 1-isothiocyanato-3,5,7-trimethyl-adamantane Formula: C14H21NS MolecularWeight: 235.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)N=C=S)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)N=C=S)C)C

InChI

InChI=1S/C14H21NS/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)15-10-16/h4-9H2,1-3H3