4-oxidanidyl-3-[pyrazin-2-yl(sulfanyl)methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-oxidanidyl-3-[pyrazin-2-yl(sulfanyl)methyl]cyclohexane-1-carboxylate Openeye Name: 4-oxido-3-[pyrazin-2-yl(sulfanyl)methyl]cyclohexanecarboxylate CAS Name: 3-[mercapto(2-pyrazinyl)methyl]-4-oxido-1-cyclohexanecarboxylate IUPAC Name: 4-oxido-3-[pyrazin-2-yl(sulfanyl)methyl]cyclohexane-1-carboxylate Traditional Name: 3-[mercapto(pyrazin-2-yl)methyl]-4-oxido-cyclohexanecarboxylate Formula: C12H14N2O3S-2 MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C(=O)[O-])C(C2=NC=CN=C2)S)[O-]

Isomeric SMILES

C1CC(C(CC1C(=O)[O-])C(C2=NC=CN=C2)S)[O-]

InChI

InChI=1S/C12H15N2O3S/c15-10-2-1-7(12(16)17)5-8(10)11(18)9-6-13-3-4-14-9/h3-4,6-8,10-11,18H,1-2,5H2,(H,16,17)/q-1/p-1