(2S,5R)-2-(2-isothiocyanatopropan-2-yl)-5-methyl-cyclohexan-1-one

Systemtic Name: (2S,5R)-2-(2-isothiocyanatopropan-2-yl)-5-methyl-cyclohexan-1-one Openeye Name: (2S,5R)-2-(1-isothiocyanato-1-methyl-ethyl)-5-methyl-cyclohexanone CAS Name: (2S,5R)-2-(2-isothiocyanatopropan-2-yl)-5-methyl-1-cyclohexanone IUPAC Name: (2S,5R)-2-(2-isothiocyanatopropan-2-yl)-5-methylcyclohexan-1-one Traditional Name: (2S,5R)-2-(1-isothiocyanato-1-methyl-ethyl)-5-methyl-cyclohexanone Formula: C11H17NOS MolecularWeight: 211.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1)C(C)(C)N=C=S

Isomeric SMILES

C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)N=C=S

InChI

InChI=1S/C11H17NOS/c1-8-4-5-9(10(13)6-8)11(2,3)12-7-14/h8-9H,4-6H2,1-3H3/t8-,9-/m1/s1