2-[[6-methyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[6-methyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[6-methyl-1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[6-methyl-1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[6-methyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[6-methyl-1-(1-naphthylmethyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C27H22N2O2S MolecularWeight: 438.54078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2CC3=CC=CC4=CC=CC=C43)SCC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2CC3=CC=CC4=CC=CC=C43)SCC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H22N2O2S/c1-18-13-14-24-25(15-18)29(16-20-10-6-9-19-7-2-4-11-22(19)20)27(28-24)32-17-21-8-3-5-12-23(21)26(30)31/h2-15H,16-17H2,1H3,(H,30,31)