2-[[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-[(1-methyl-3-indolyl)methyl]-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-[(1-methylindol-3-yl)methyl]benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C25H21N3O2S/c1-27-14-18(19-9-4-6-12-22(19)27)15-28-23-13-7-5-11-21(23)26-25(28)31-16-17-8-2-3-10-20(17)24(29)30/h2-14H,15-16H2,1H3,(H,29,30)