2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]acetic acid IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]acetic acid Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H16N2O2S2/c1-11-12(5-4-8-15(11)22-10-16(20)21)9-23-17-18-13-6-2-3-7-14(13)19-17/h2-8H,9-10H2,1H3,(H,18,19)(H,20,21)