2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-[(4-chlorophenyl)methylthio]-1-indolyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-[(4-chlorobenzyl)thio]indol-1-yl]-1-pyrrolidino-ethanone Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2OS/c22-17-9-7-16(8-10-17)15-26-20-13-24(19-6-2-1-5-18(19)20)14-21(25)23-11-3-4-12-23/h1-2,5-10,13H,3-4,11-12,14-15H2