4-bromanyl-N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]benzamide

Systemtic Name: 4-bromanyl-N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]benzamide Openeye Name: 4-bromo-N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]benzamide CAS Name: 4-bromo-N-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]benzamide IUPAC Name: 4-bromo-N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide Traditional Name: 4-bromo-N-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]benzamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NN=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)N/N=C/C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])Br

InChI

InChI=1S/C16H14BrN3O4S/c17-13-4-2-12(3-5-13)16(22)19-18-10-11-1-6-15(25-8-7-21)14(9-11)20(23)24/h1-6,9-10,21H,7-8H2,(H,19,22)/b18-10+