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

Systemtic Name: 4-ethanoyl-N-[2-(phenylmethylsulfanyl)ethyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-(2-benzylsulfanylethyl)-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[2-(phenylmethylthio)ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-(2-benzylsulfanylethyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[2-(benzylthio)ethyl]-1H-pyrrole-2-carboxamide Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-12(19)14-9-15(18-10-14)16(20)17-7-8-21-11-13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11H2,1H3,(H,17,20)