1-[2-(4-oxidanylbutyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate

Systemtic Name: 1-[2-(4-oxidanylbutyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate Openeye Name: 1-[2-(4-hydroxybutyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid 1-[[2-(4-hydroxybutyl)phenyl]thio]propyl ester IUPAC Name: 1-[2-(4-hydroxybutyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid 1-[[2-(4-hydroxybutyl)phenyl]thio]propyl ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)N1C=CCC=C1)SC2=CC=CC=C2CCCCO

Isomeric SMILES

CCC(OC(=O)N1C=CCC=C1)SC2=CC=CC=C2CCCCO

InChI

InChI=1S/C19H25NO3S/c1-2-18(23-19(22)20-13-7-3-8-14-20)24-17-12-5-4-10-16(17)11-6-9-15-21/h4-5,7-8,10,12-14,18,21H,2-3,6,9,11,15H2,1H3