(1-butyl-5-methylsulfanyl-imidazol-4-yl) hydrogen carbonate

Systemtic Name: (1-butyl-5-methylsulfanyl-imidazol-4-yl) hydrogen carbonate Openeye Name: (1-butyl-5-methylsulfanyl-imidazol-4-yl) hydrogen carbonate CAS Name: carbonic acid [1-butyl-5-(methylthio)-4-imidazolyl] ester IUPAC Name: (1-butyl-5-methylsulfanylimidazol-4-yl) hydrogen carbonate Traditional Name: carbonic acid [1-butyl-5-(methylthio)imidazol-4-yl] ester Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC(=C1SC)OC(=O)O

Isomeric SMILES

CCCCN1C=NC(=C1SC)OC(=O)O

InChI

InChI=1S/C9H14N2O3S/c1-3-4-5-11-6-10-7(8(11)15-2)14-9(12)13/h6H,3-5H2,1-2H3,(H,12,13)