2-[6-(4-methylphenyl)pyrazin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-(4-methylphenyl)pyrazin-2-yl]sulfanylethanoic acid Openeye Name: 2-[6-(p-tolyl)pyrazin-2-yl]sulfanylacetic acid CAS Name: 2-[[6-(4-methylphenyl)-2-pyrazinyl]thio]acetic acid IUPAC Name: 2-[6-(4-methylphenyl)pyrazin-2-yl]sulfanylacetic acid Traditional Name: 2-[[6-(p-tolyl)pyrazin-2-yl]thio]acetic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=CC(=N2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=CC(=N2)SCC(=O)O

InChI

InChI=1S/C13H12N2O2S/c1-9-2-4-10(5-3-9)11-6-14-7-12(15-11)18-8-13(16)17/h2-7H,8H2,1H3,(H,16,17)