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3-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylpropanoic acid

3-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylpropanoic acid

Systemtic Name:3-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylpropanoic acid
Openeye Name:3-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanyl]propanoic acid
CAS Name:3-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]propanoic acid
IUPAC Name:3-(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanylpropanoic acid
Traditional Name:3-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]propionic acid
Formula: C16H14N2O2S
MolecularWeight: 298.35956
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCCC(=O)O


Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCCC(=O)O


InChI

InChI=1S/C16H14N2O2S/c1-11-9-13(12-5-3-2-4-6-12)14(10-17)16(18-11)21-8-7-15(19)20/h2-6,9H,7-8H2,1H3,(H,19,20)


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