2-[3-(phenylmethylsulfanyl)indol-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-(phenylmethylsulfanyl)indol-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(3-benzylsulfanylindol-1-yl)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-(phenylmethylthio)-1-indolyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(3-benzylsulfanylindol-1-yl)-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-(benzylthio)indol-1-yl]-1-pyrrolidino-ethanone Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2OS/c24-21(22-12-6-7-13-22)15-23-14-20(18-10-4-5-11-19(18)23)25-16-17-8-2-1-3-9-17/h1-5,8-11,14H,6-7,12-13,15-16H2