2-[1-(3-methylcyclohexyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-methylcyclohexyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-methylcyclohexyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-methylcyclohexyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-methylcyclohexyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-methylcyclohexyl)imidazol-2-yl]thio]acetic acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CC1CCCC(C1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C12H18N2O2S/c1-9-3-2-4-10(7-9)14-6-5-13-12(14)17-8-11(15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)