N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-methoxy-3-(3-pyridinylmethoxy)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OCC2=CN=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OCC2=CN=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S/c1-15(31-19-8-6-18(7-9-19)25(27)28)22(26)24-17-5-10-20(29-2)21(12-17)30-14-16-4-3-11-23-13-16/h3-13,15H,14H2,1-2H3,(H,24,26)