2-(3-tert-butylsulfanylpropyl)-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-(3-tert-butylsulfanylpropyl)-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-(3-tert-butylsulfanylpropyl)-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[3-(tert-butylthio)propyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-(3-tert-butylsulfanylpropyl)-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[3-(tert-butylthio)propyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCCSC(C)(C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCCSC(C)(C)C)C

InChI

InChI=1S/C18H25NO2S/c1-17(2,3)22-12-8-11-19-15(20)13-9-6-7-10-14(13)18(4,5)16(19)21/h6-7,9-10H,8,11-12H2,1-5H3