2-[(4-tert-butylphenyl)methylsulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[(4-tert-butylphenyl)methylthio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[(4-tert-butylbenzyl)thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O2S/c1-22(2,3)18-8-6-16(7-9-18)14-27-15-20(25)17-12-19(23-13-17)21(26)24-10-4-5-11-24/h6-9,12-13,23H,4-5,10-11,14-15H2,1-3H3