2-[(4-methylsulfanylphenyl)amino]-1-(naphthalen-1-ylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(4-methylsulfanylphenyl)amino]-1-(naphthalen-1-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 2-(4-methylsulfanylanilino)-1-(1-naphthylmethyl)benzimidazole-5-carboxylic acid CAS Name: 2-[4-(methylthio)anilino]-1-(1-naphthalenylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-methylsulfanylanilino)-1-(naphthalen-1-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(methylthio)anilino]-1-(1-naphthylmethyl)benzimidazole-5-carboxylic acid Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C=CC(=C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C=CC(=C3)C(=O)O

InChI

InChI=1S/C26H21N3O2S/c1-32-21-12-10-20(11-13-21)27-26-28-23-15-18(25(30)31)9-14-24(23)29(26)16-19-7-4-6-17-5-2-3-8-22(17)19/h2-15H,16H2,1H3,(H,27,28)(H,30,31)