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4-[(3-cyanopyridin-2-yl)sulfanylmethyl]benzoic acid

4-[(3-cyanopyridin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name:4-[(3-cyanopyridin-2-yl)sulfanylmethyl]benzoic acid
Openeye Name:4-[(3-cyano-2-pyridyl)sulfanylmethyl]benzoic acid
CAS Name:4-[[(3-cyano-2-pyridinyl)thio]methyl]benzoic acid
IUPAC Name:4-[(3-cyanopyridin-2-yl)sulfanylmethyl]benzoic acid
Traditional Name:4-[[(3-cyano-2-pyridyl)thio]methyl]benzoic acid
Formula: C14H10N2O2S
MolecularWeight: 270.3064
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C(=O)O)C#N


Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C(=O)O)C#N


InChI

InChI=1S/C14H10N2O2S/c15-8-12-2-1-7-16-13(12)19-9-10-3-5-11(6-4-10)14(17)18/h1-7H,9H2,(H,17,18)


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