2-[1-(cyclobutylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(cyclobutylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(cyclobutylmethyl)-5-phenyl-imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(cyclobutylmethyl)-5-phenyl-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(cyclobutylmethyl)-5-phenylimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(cyclobutylmethyl)-5-phenyl-imidazol-2-yl]thio]acetic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2C(=CN=C2SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CC(C1)CN2C(=CN=C2SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2O2S/c19-15(20)11-21-16-17-9-14(13-7-2-1-3-8-13)18(16)10-12-5-4-6-12/h1-3,7-9,12H,4-6,10-11H2,(H,19,20)