1-[2-(3-oxidanylpropyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate

Systemtic Name: 1-[2-(3-oxidanylpropyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate Openeye Name: 1-[2-(3-hydroxypropyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid 1-[[2-(3-hydroxypropyl)phenyl]thio]propyl ester IUPAC Name: 1-[2-(3-hydroxypropyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid 1-[[2-(3-hydroxypropyl)phenyl]thio]propyl ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)N1C=CCC=C1)SC2=CC=CC=C2CCCO

Isomeric SMILES

CCC(OC(=O)N1C=CCC=C1)SC2=CC=CC=C2CCCO

InChI

InChI=1S/C18H23NO3S/c1-2-17(22-18(21)19-12-6-3-7-13-19)23-16-11-5-4-9-15(16)10-8-14-20/h4-7,9,11-13,17,20H,2-3,8,10,14H2,1H3