3-nitro-N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide

Systemtic Name: 3-nitro-N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide Openeye Name: 3-nitro-N-[(E)-[5-(8-quinolylsulfanyl)-2-furyl]methyleneamino]benzamide CAS Name: 3-nitro-N-[(E)-[5-(8-quinolinylthio)-2-furanyl]methylideneamino]benzamide IUPAC Name: 3-nitro-N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide Traditional Name: 3-nitro-N-[(E)-[5-(8-quinolylthio)-2-furyl]methyleneamino]benzamide Formula: C21H14N4O4S MolecularWeight: 418.42526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=CC=C(O3)C=NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=CC=C(O3)/C=N/NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C21H14N4O4S/c26-21(15-5-1-7-16(12-15)25(27)28)24-23-13-17-9-10-19(29-17)30-18-8-2-4-14-6-3-11-22-20(14)18/h1-13H,(H,24,26)/b23-13+