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

Systemtic Name: 2-[[1-[(2-methyl-1H-indol-3-yl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-[(2-methyl-1H-indol-3-yl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-[(2-methyl-1H-indol-3-yl)methyl]-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-[(2-methyl-1H-indol-3-yl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-[(2-methyl-1H-indol-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:

CC1=C(C2=CC=CC=C2N1)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5C(=O)O

InChI

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