5-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylic acid

Systemtic Name: 5-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylic acid Openeye Name: 5-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylic acid CAS Name: 5-[(4-methoxyphenyl)methylthio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 5-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazole-4-carboxylic acid Traditional Name: 3-methyl-5-(p-anisylthio)imidazole-4-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1C(=O)O)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CN1C=NC(=C1C(=O)O)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C13H14N2O3S/c1-15-8-14-12(11(15)13(16)17)19-7-9-3-5-10(18-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,17)