2-methyl-3-oxidanyl-3-(propylsulfanylmethyl)isoindol-1-one

Systemtic Name: 2-methyl-3-oxidanyl-3-(propylsulfanylmethyl)isoindol-1-one Openeye Name: 3-hydroxy-2-methyl-3-(propylsulfanylmethyl)isoindolin-1-one CAS Name: 3-hydroxy-2-methyl-3-[(propylthio)methyl]-1-isoindolone IUPAC Name: 3-hydroxy-2-methyl-3-(propylsulfanylmethyl)isoindol-1-one Traditional Name: 3-hydroxy-2-methyl-3-[(propylthio)methyl]isoindolin-1-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1(C2=CC=CC=C2C(=O)N1C)O

Isomeric SMILES

CCCSCC1(C2=CC=CC=C2C(=O)N1C)O

InChI

InChI=1S/C13H17NO2S/c1-3-8-17-9-13(16)11-7-5-4-6-10(11)12(15)14(13)2/h4-7,16H,3,8-9H2,1-2H3