2-(4-nitrophenyl)sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[(6-pyrrolidino-3-pyridyl)methyl]acetamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c23-18(13-26-16-6-4-15(5-7-16)22(24)25)20-12-14-3-8-17(19-11-14)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12-13H2,(H,20,23)