3-(pyrazin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 3-(pyrazin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 3-(pyrazin-2-ylmethylsulfanyl)benzoic acid CAS Name: 3-(2-pyrazinylmethylthio)benzoic acid IUPAC Name: 3-(pyrazin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 3-(pyrazin-2-ylmethylthio)benzoic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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