2-[1-(4-methylcyclohexyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(4-methylcyclohexyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(4-methylcyclohexyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-methylcyclohexyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(4-methylcyclohexyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-methylcyclohexyl)imidazol-2-yl]thio]acetate Formula: C12H17N2O2S- MolecularWeight: 253.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

CC1CCC(CC1)N2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C12H18N2O2S/c1-9-2-4-10(5-3-9)14-7-6-13-12(14)17-8-11(15)16/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)/p-1