2-(4-nitrophenyl)sulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CN=C(C=C1)N2CCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c1-13(26-16-7-5-15(6-8-16)22(24)25)18(23)20-14-4-9-17(19-12-14)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,23)