(5S,7R)-1-isothiocyanato-3-methyl-adamantane

Systemtic Name: (5S,7R)-1-isothiocyanato-3-methyl-adamantane Openeye Name: (5S,7R)-1-isothiocyanato-3-methyl-adamantane CAS Name: (5S,7R)-1-isothiocyanato-3-methyladamantane IUPAC Name: (5S,7R)-1-isothiocyanato-3-methyladamantane Traditional Name: (5S,7R)-1-isothiocyanato-3-methyl-adamantane Formula: C12H17NS MolecularWeight: 207.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)N=C=S

InChI

InChI=1S/C12H17NS/c1-11-3-9-2-10(4-11)6-12(5-9,7-11)13-8-14/h9-10H,2-7H2,1H3/t9-,10+,11?,12?