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2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoic acid

2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoic acid

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

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)O


Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)O


InChI

InChI=1S/C12H14N2O2S/c1-2-3-4-10-6-5-9(7-13)12(14-10)17-8-11(15)16/h5-6H,2-4,8H2,1H3,(H,15,16)


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