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

Systemtic Name: (2S,4E)-2-methyl-4-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2S,4E)-2-methyl-4-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2S,4E)-2-methyl-4-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (2S,4E)-2-methyl-4-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2S,4E)-2-methyl-4-[3-nitro-4-(p-tolylthio)benzylidene]-2,3-dihydro-1H-acridine-9-carboxylate Formula: C29H23N2O4S- MolecularWeight: 495.56892

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-])C4=NC5=CC=CC=C5C(=C4C1)C(=O)[O-]

Isomeric SMILES

C[C@H]1C/C(=C\C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-])/C4=NC5=CC=CC=C5C(=C4C1)C(=O)[O-]

InChI

InChI=1S/C29H24N2O4S/c1-17-7-10-21(11-8-17)36-26-12-9-19(16-25(26)31(34)35)15-20-13-18(2)14-23-27(29(32)33)22-5-3-4-6-24(22)30-28(20)23/h3-12,15-16,18H,13-14H2,1-2H3,(H,32,33)/p-1/b20-15+/t18-/m0/s1