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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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