2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-(1-isopentylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[(1-isoamylbenzimidazol-2-yl)thio]acetate Formula: C14H17N2O2S- MolecularWeight: 277.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SCC(=O)[O-]

InChI

InChI=1S/C14H18N2O2S/c1-10(2)7-8-16-12-6-4-3-5-11(12)15-14(16)19-9-13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)/p-1