(4E)-2-tert-butyl-4-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: (4E)-2-tert-butyl-4-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: (4E)-2-tert-butyl-4-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: (4E)-2-tert-butyl-4-[[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: (4E)-2-tert-butyl-4-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: (4E)-2-tert-butyl-4-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])C4=NC5=CC=CC=C5C(=C4C1)C(=O)O

Isomeric SMILES

CC(C)(C)C1C/C(=C\C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])/C4=NC5=CC=CC=C5C(=C4C1)C(=O)O

InChI

InChI=1S/C29H28N4O4S/c1-29(2,3)19-15-18(26-21(16-19)25(27(34)35)20-7-5-6-8-22(20)31-26)13-17-9-10-24(23(14-17)33(36)37)38-28-30-11-12-32(28)4/h5-14,19H,15-16H2,1-4H3,(H,34,35)/b18-13+