4-(phenylmethylsulfanyl)-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 4-(phenylmethylsulfanyl)-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-benzylsulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-(phenylmethylthio)-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-benzylsulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-(benzylthio)-1-pyrrolidino-butan-1-one Formula: C15H21NOS MolecularWeight: 263.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCSCC2=CC=CC=C2

Isomeric SMILES

C1CCN(C1)C(=O)CCCSCC2=CC=CC=C2

InChI

InChI=1S/C15H21NOS/c17-15(16-10-4-5-11-16)9-6-12-18-13-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2