6-(phenylmethylsulfanyl)pyrazine-2-carboxylate

Systemtic Name: 6-(phenylmethylsulfanyl)pyrazine-2-carboxylate Openeye Name: 6-benzylsulfanylpyrazine-2-carboxylate CAS Name: 6-(phenylmethylthio)-2-pyrazinecarboxylate IUPAC Name: 6-benzylsulfanylpyrazine-2-carboxylate Traditional Name: 6-(benzylthio)pyrazinate Formula: C12H9N2O2S- MolecularWeight: 245.27706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CN=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CN=C2)C(=O)[O-]

InChI

InChI=1S/C12H10N2O2S/c15-12(16)10-6-13-7-11(14-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)/p-1