4-[1-[(4-chloranyl-1-methyl-indol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[(4-chloranyl-1-methyl-indol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(4-chloro-1-methyl-indol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(4-chloro-1-methyl-3-indolyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(4-chloro-1-methylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(4-chloro-1-methyl-indol-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC=C2Cl)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=CC=C2Cl)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

InChI

InChI=1S/C21H20ClN3O2S/c1-24-12-14(20-15(22)6-4-9-18(20)24)13-25-17-8-3-2-7-16(17)23-21(25)28-11-5-10-19(26)27/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,26,27)