N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-ethylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-ethylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-ethylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-ethylsulfanylpyridine-3-carboxamide Traditional Name: 2-(ethylthio)-N-homopiperonyl-nicotinamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O3S/c1-2-23-17-13(4-3-8-19-17)16(20)18-9-7-12-5-6-14-15(10-12)22-11-21-14/h3-6,8,10H,2,7,9,11H2,1H3,(H,18,20)