N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]-2-(4-nitrophenoxy)acetamide CAS Name: N-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]-2-(4-nitrophenoxy)acetamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])CSC3=CC=CC=N3

InChI

InChI=1S/C22H20N4O5S/c1-30-20-10-5-16(12-17(20)15-32-22-4-2-3-11-23-22)13-24-25-21(27)14-31-19-8-6-18(7-9-19)26(28)29/h2-13H,14-15H2,1H3,(H,25,27)/b24-13+