N-[(E)-[2-[(4-bromophenyl)methoxy]-5-nitro-phenyl]methylideneamino]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-[2-[(4-bromophenyl)methoxy]-5-nitro-phenyl]methylideneamino]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-[2-[(4-bromophenyl)methoxy]-5-nitro-phenyl]methyleneamino]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(E)-[2-[(4-bromophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(E)-[2-[(4-bromophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(E)-[2-(4-bromobenzyl)oxy-5-nitro-benzylidene]amino]-2-(2-pyridylthio)acetamide Formula: C21H17BrN4O4S MolecularWeight: 501.35308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN4O4S/c22-17-6-4-15(5-7-17)13-30-19-9-8-18(26(28)29)11-16(19)12-24-25-20(27)14-31-21-3-1-2-10-23-21/h1-12H,13-14H2,(H,25,27)/b24-12+