N-(2-methoxy-5-nitro-phenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-[2-(2-pyridyl)ethylsulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[2-(2-pyridinyl)ethylthio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-[2-(2-pyridyl)ethylthio]propionamide Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSCCC2=CC=CC=N2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSCCC2=CC=CC=N2

InChI

InChI=1S/C17H19N3O4S/c1-24-16-6-5-14(20(22)23)12-15(16)19-17(21)8-11-25-10-7-13-4-2-3-9-18-13/h2-6,9,12H,7-8,10-11H2,1H3,(H,19,21)