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2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylethanoic acid

2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylethanoic acid

Systemtic Name:2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylethanoic acid
Openeye Name:2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]acetic acid
CAS Name:2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]acetic acid
IUPAC Name:2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylacetic acid
Traditional Name:2-[(3-cyano-6-isobutyl-2-pyridyl)thio]acetic acid
Formula: C12H14N2O2S
MolecularWeight: 250.31676
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)O


Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)O


InChI

InChI=1S/C12H14N2O2S/c1-8(2)5-10-4-3-9(6-13)12(14-10)17-7-11(15)16/h3-4,8H,5,7H2,1-2H3,(H,15,16)


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