2-butyl-4-methylsulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: 2-butyl-4-methylsulfanyl-1H-imidazole-5-carboxylate Openeye Name: 2-butyl-4-methylsulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-butyl-4-(methylthio)-1H-imidazole-5-carboxylate IUPAC Name: 2-butyl-4-methylsulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-butyl-4-(methylthio)-1H-imidazole-5-carboxylate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)C(=O)[O-])SC

Isomeric SMILES

CCCCC1=NC(=C(N1)C(=O)[O-])SC

InChI

InChI=1S/C9H14N2O2S/c1-3-4-5-6-10-7(9(12)13)8(11-6)14-2/h3-5H2,1-2H3,(H,10,11)(H,12,13)/p-1