2-butyl-3-(phenylmethylsulfanyl)-3H-isoindol-1-one

Systemtic Name: 2-butyl-3-(phenylmethylsulfanyl)-3H-isoindol-1-one Openeye Name: 3-benzylsulfanyl-2-butyl-isoindolin-1-one CAS Name: 2-butyl-3-(phenylmethylthio)-3H-isoindol-1-one IUPAC Name: 3-benzylsulfanyl-2-butyl-3H-isoindol-1-one Traditional Name: 3-(benzylthio)-2-butyl-isoindolin-1-one Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C1=O)SCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(C2=CC=CC=C2C1=O)SCC3=CC=CC=C3

InChI

InChI=1S/C19H21NOS/c1-2-3-13-20-18(21)16-11-7-8-12-17(16)19(20)22-14-15-9-5-4-6-10-15/h4-12,19H,2-3,13-14H2,1H3