N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-ethanoyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-ethanoyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[2-[(4-chlorophenyl)methylthio]ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[2-[(4-chlorobenzyl)thio]ethyl]-1H-pyrrole-2-carboxamide Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN2O2S/c1-11(20)13-8-15(19-9-13)16(21)18-6-7-22-10-12-2-4-14(17)5-3-12/h2-5,8-9,19H,6-7,10H2,1H3,(H,18,21)