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

Systemtic Name: (4E)-4-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: (4E)-4-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: (4E)-4-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: (4E)-4-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: (4E)-4-[3-nitro-4-(p-tolylthio)benzylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C28H22N2O4S MolecularWeight: 482.55028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3CCCC4=C(C5=CC=CC=C5N=C34)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/3\CCCC4=C(C5=CC=CC=C5N=C34)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C28H22N2O4S/c1-17-9-12-20(13-10-17)35-25-14-11-18(16-24(25)30(33)34)15-19-5-4-7-22-26(28(31)32)21-6-2-3-8-23(21)29-27(19)22/h2-3,6,8-16H,4-5,7H2,1H3,(H,31,32)/b19-15+