4-[1-(1H-indol-3-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(1H-indol-3-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(1H-indol-3-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(1H-indol-3-ylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-(1H-indol-3-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(1H-indol-3-ylmethyl)benzimidazol-2-yl]thio]butyric acid Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

InChI

InChI=1S/C20H19N3O2S/c24-19(25)10-5-11-26-20-22-17-8-3-4-9-18(17)23(20)13-14-12-21-16-7-2-1-6-15(14)16/h1-4,6-9,12,21H,5,10-11,13H2,(H,24,25)