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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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