2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[3-(methylthio)phenyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[3-(methylthio)phenyl]imidazol-2-yl]thio]acetic acid Formula: C12H12N2O2S2 MolecularWeight: 280.36588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C12H12N2O2S2/c1-17-10-4-2-3-9(7-10)14-6-5-13-12(14)18-8-11(15)16/h2-7H,8H2,1H3,(H,15,16)