N-butyl-N-[3-(4-pyridin-4-ylsulfanylphenoxy)propyl]butan-1-amine

Systemtic Name: N-butyl-N-[3-(4-pyridin-4-ylsulfanylphenoxy)propyl]butan-1-amine Openeye Name: N-butyl-N-[3-[4-(4-pyridylsulfanyl)phenoxy]propyl]butan-1-amine CAS Name: N-butyl-N-[3-[4-(pyridin-4-ylthio)phenoxy]propyl]-1-butanamine IUPAC Name: N-butyl-N-[3-(4-pyridin-4-ylsulfanylphenoxy)propyl]butan-1-amine Traditional Name: dibutyl-[3-[4-(4-pyridylthio)phenoxy]propyl]amine Formula: C22H32N2OS MolecularWeight: 372.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)SC2=CC=NC=C2

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)SC2=CC=NC=C2

InChI

InChI=1S/C22H32N2OS/c1-3-5-16-24(17-6-4-2)18-7-19-25-20-8-10-21(11-9-20)26-22-12-14-23-15-13-22/h8-15H,3-7,16-19H2,1-2H3