2-(1-propylimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-propylimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-propylimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(1-propyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(1-propylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-propylimidazol-2-yl)thio]acetic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)O

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)O

InChI

InChI=1S/C8H12N2O2S/c1-2-4-10-5-3-9-8(10)13-6-7(11)12/h3,5H,2,4,6H2,1H3,(H,11,12)