2-[[5,6-bis(chloranyl)-1-phenethyl-benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[5,6-bis(chloranyl)-1-phenethyl-benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[(5,6-dichloro-1-phenethyl-benzimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(5,6-dichloro-1-phenethyl-2-benzimidazolyl)thio]methyl]benzoic acid IUPAC Name: 2-[(5,6-dichloro-1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(5,6-dichloro-1-phenethyl-benzimidazol-2-yl)thio]methyl]benzoic acid Formula: C23H18Cl2N2O2S MolecularWeight: 457.37222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC(=C(C=C3N=C2SCC4=CC=CC=C4C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC(=C(C=C3N=C2SCC4=CC=CC=C4C(=O)O)Cl)Cl

InChI

InChI=1S/C23H18Cl2N2O2S/c24-18-12-20-21(13-19(18)25)27(11-10-15-6-2-1-3-7-15)23(26-20)30-14-16-8-4-5-9-17(16)22(28)29/h1-9,12-13H,10-11,14H2,(H,28,29)