2-[(4-imidazol-1-ylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[4-(1-imidazolyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-imidazol-1-ylbenzyl)thio]propionic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC=C(C=C1)N2C=CN=C2

Isomeric SMILES

CC(C(=O)O)SCC1=CC=C(C=C1)N2C=CN=C2

InChI

InChI=1S/C13H14N2O2S/c1-10(13(16)17)18-8-11-2-4-12(5-3-11)15-7-6-14-9-15/h2-7,9-10H,8H2,1H3,(H,16,17)