ethyl 4-[5-(hydroxymethyl)-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[5-(hydroxymethyl)-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[5-(hydroxymethyl)-1-(4-pyridylmethyl)imidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[5-(hydroxymethyl)-1-(pyridin-4-ylmethyl)-2-imidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-(hydroxymethyl)-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[[5-methylol-1-(4-pyridylmethyl)imidazol-2-yl]thio]butyric acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC=C(N1CC2=CC=NC=C2)CO

Isomeric SMILES

CCOC(=O)CCCSC1=NC=C(N1CC2=CC=NC=C2)CO

InChI

InChI=1S/C16H21N3O3S/c1-2-22-15(21)4-3-9-23-16-18-10-14(12-20)19(16)11-13-5-7-17-8-6-13/h5-8,10,20H,2-4,9,11-12H2,1H3