4-ethanoyl-N-(3-phenylsulfanylpropyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-N-(3-phenylsulfanylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-(3-phenylsulfanylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[3-(phenylthio)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-(3-phenylsulfanylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[3-(phenylthio)propyl]-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)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NCCCSC2=CC=CC=C2

InChI

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