5-bromanyl-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-oxidanyl-benzamide Openeye Name: 5-bromo-2-hydroxy-N-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]benzamide CAS Name: 5-bromo-2-hydroxy-N-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide Traditional Name: 5-bromo-2-hydroxy-N-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]benzamide Formula: C21H16BrN3O4S MolecularWeight: 486.33844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC(=O)C3=C(C=CC(=C3)Br)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=O)C3=C(C=CC(=C3)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN3O4S/c1-13-2-6-16(7-3-13)30-20-9-4-14(10-18(20)25(28)29)12-23-24-21(27)17-11-15(22)5-8-19(17)26/h2-12,26H,1H3,(H,24,27)/b23-12+