3-butyl-2-methylsulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 3-butyl-2-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-butyl-2-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-butyl-2-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-butyl-2-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-butyl-2-(methylthio)imidazole-4-carboxylic acid Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1SC)C(=O)O

Isomeric SMILES

CCCCN1C(=CN=C1SC)C(=O)O

InChI

InChI=1S/C9H14N2O2S/c1-3-4-5-11-7(8(12)13)6-10-9(11)14-2/h6H,3-5H2,1-2H3,(H,12,13)