4-[5-cyano-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5-cyano-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5-cyano-1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5-cyano-1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5-cyano-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-cyano-1-(1-naphthylmethyl)benzimidazol-2-yl]thio]butyric acid Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C4=C(C=C(C=C4)C#N)N=C3SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C4=C(C=C(C=C4)C#N)N=C3SCCCC(=O)O

InChI

InChI=1S/C23H19N3O2S/c24-14-16-10-11-21-20(13-16)25-23(29-12-4-9-22(27)28)26(21)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-3,5-8,10-11,13H,4,9,12,15H2,(H,27,28)