2-[[1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-(1,3-benzodioxol-5-ylmethyl)-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[(1-piperonylbenzimidazol-2-yl)thio]methyl]benzoic acid Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C23H18N2O4S/c26-22(27)17-6-2-1-5-16(17)13-30-23-24-18-7-3-4-8-19(18)25(23)12-15-9-10-20-21(11-15)29-14-28-20/h1-11H,12-14H2,(H,26,27)