4-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1,4,5-tris(4-chlorophenyl)-2-imidazolyl]thio]butanoic acid IUPAC Name: 4-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]thio]butyric acid Formula: C25H19Cl3N2O2S MolecularWeight: 517.85456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N(C(=N2)SCCCC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(N(C(=N2)SCCCC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H19Cl3N2O2S/c26-18-7-3-16(4-8-18)23-24(17-5-9-19(27)10-6-17)30(21-13-11-20(28)12-14-21)25(29-23)33-15-1-2-22(31)32/h3-14H,1-2,15H2,(H,31,32)