2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]thio]methyl]isoindoline-1,3-quinone Formula: C19H25NO2S MolecularWeight: 331.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)SCN2C(=O)C3=CC=CC=C3C2=O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)SCN2C(=O)C3=CC=CC=C3C2=O)C(C)C

InChI

InChI=1S/C19H25NO2S/c1-12(2)14-9-8-13(3)10-17(14)23-11-20-18(21)15-6-4-5-7-16(15)19(20)22/h4-7,12-14,17H,8-11H2,1-3H3/t13-,14+,17+/m1/s1