methyl 4-[[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-butyl-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(1-butyl-5-methylol-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1SCC2=CC=C(C=C2)C(=O)OC)CO

Isomeric SMILES

CCCCN1C(=CN=C1SCC2=CC=C(C=C2)C(=O)OC)CO

InChI

InChI=1S/C17H22N2O3S/c1-3-4-9-19-15(11-20)10-18-17(19)23-12-13-5-7-14(8-6-13)16(21)22-2/h5-8,10,20H,3-4,9,11-12H2,1-2H3