2-phenylsulfanyl-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 2-phenylsulfanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-phenylsulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-(phenylthio)-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-phenylsulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-(phenylthio)-1-pyrrolidino-butan-1-one Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)SC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)N1CCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C14H19NOS/c1-2-13(14(16)15-10-6-7-11-15)17-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3