4-[5-cyano-1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5-cyano-1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5-cyano-1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5-cyano-1-[(2,5-dimethylphenyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5-cyano-1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-cyano-1-(2,5-dimethylbenzyl)benzimidazol-2-yl]thio]butyric acid Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C=C3)C#N)N=C2SCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C=C3)C#N)N=C2SCCCC(=O)O

InChI

InChI=1S/C21H21N3O2S/c1-14-5-6-15(2)17(10-14)13-24-19-8-7-16(12-22)11-18(19)23-21(24)27-9-3-4-20(25)26/h5-8,10-11H,3-4,9,13H2,1-2H3,(H,25,26)