2-[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-butyl-5-(4-fluorophenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]thio]acetic acid Formula: C15H17FN2O2S MolecularWeight: 308.371083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1SCC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCN1C(=CN=C1SCC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H17FN2O2S/c1-2-3-8-18-13(11-4-6-12(16)7-5-11)9-17-15(18)21-10-14(19)20/h4-7,9H,2-3,8,10H2,1H3,(H,19,20)