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2-(2-diethylaminoethylsulfanyl)pyridine-3-carboxylic acid

2-(2-diethylaminoethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name:2-(2-diethylaminoethylsulfanyl)pyridine-3-carboxylic acid
Openeye Name:2-(2-diethylaminoethylsulfanyl)pyridine-3-carboxylic acid
CAS Name:2-(2-diethylaminoethylthio)-3-pyridinecarboxylic acid
IUPAC Name:2-(2-diethylaminoethylsulfanyl)pyridine-3-carboxylic acid
Traditional Name:2-(2-diethylaminoethylthio)nicotinic acid
Formula: C12H18N2O2S
MolecularWeight: 254.34852
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=C(C=CC=N1)C(=O)O


Isomeric SMILES

CCN(CC)CCSC1=C(C=CC=N1)C(=O)O


InChI

InChI=1S/C12H18N2O2S/c1-3-14(4-2)8-9-17-11-10(12(15)16)6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3,(H,15,16)


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