4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid Openeye Name: 4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl]thio]benzoic acid IUPAC Name: 4-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanylbenzoic acid Traditional Name: 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]thio]benzoic acid Formula: C18H14Cl2N2O2S MolecularWeight: 393.28696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O2S/c19-13-3-6-15(16(20)9-13)17(10-22-8-7-21-11-22)25-14-4-1-12(2-5-14)18(23)24/h1-9,11,17H,10H2,(H,23,24)