4-chloranyl-3-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propanoylamino]benzoic acid Formula: C25H20ClN3O3S MolecularWeight: 477.9626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20ClN3O3S/c1-15(23(30)27-20-14-18(24(31)32)12-13-19(20)26)33-25-28-21(16-8-4-2-5-9-16)22(29-25)17-10-6-3-7-11-17/h2-15H,1H3,(H,27,30)(H,28,29)(H,31,32)