2-[1-(4-propylphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-propylphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(4-propylphenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-propylphenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-propylphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-propylphenyl)imidazol-2-yl]thio]acetic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C14H16N2O2S/c1-2-3-11-4-6-12(7-5-11)16-9-8-15-14(16)19-10-13(17)18/h4-9H,2-3,10H2,1H3,(H,17,18)