4-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)benzoic acid

Systemtic Name: 4-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)benzoic acid Openeye Name: 4-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)benzoic acid CAS Name: 4-[2-(methylthio)-4,5-dihydroimidazol-1-yl]benzoic acid IUPAC Name: 4-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)benzoic acid Traditional Name: 4-[2-(methylthio)-2-imidazolin-1-yl]benzoic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NCCN1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CSC1=NCCN1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H12N2O2S/c1-16-11-12-6-7-13(11)9-4-2-8(3-5-9)10(14)15/h2-5H,6-7H2,1H3,(H,14,15)