2-(pyrazin-2-ylmethyl)-5-sulfanyl-cyclohexane-1-carboxylate

Systemtic Name: 2-(pyrazin-2-ylmethyl)-5-sulfanyl-cyclohexane-1-carboxylate Openeye Name: 2-(pyrazin-2-ylmethyl)-5-sulfanyl-cyclohexanecarboxylate CAS Name: 5-mercapto-2-(2-pyrazinylmethyl)-1-cyclohexanecarboxylate IUPAC Name: 2-(pyrazin-2-ylmethyl)-5-sulfanylcyclohexane-1-carboxylate Traditional Name: 5-mercapto-2-(pyrazin-2-ylmethyl)cyclohexanecarboxylate Formula: C12H15N2O2S- MolecularWeight: 251.3247

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1S)C(=O)[O-])CC2=NC=CN=C2

Isomeric SMILES

C1CC(C(CC1S)C(=O)[O-])CC2=NC=CN=C2

InChI

InChI=1S/C12H16N2O2S/c15-12(16)11-6-10(17)2-1-8(11)5-9-7-13-3-4-14-9/h3-4,7-8,10-11,17H,1-2,5-6H2,(H,15,16)/p-1