2-(pyrazin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(pyrazin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(pyrazin-2-ylmethylsulfanyl)benzoic acid CAS Name: 2-(2-pyrazinylmethylthio)benzoic acid IUPAC Name: 2-(pyrazin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(pyrazin-2-ylmethylthio)benzoic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=NC=CN=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=NC=CN=C2

InChI

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