N,N-dibutyl-1-(pyridin-2-ylmethylsulfanyl)propane-1,3-diamine

Systemtic Name: N,N-dibutyl-1-(pyridin-2-ylmethylsulfanyl)propane-1,3-diamine Openeye Name: N,N-dibutyl-1-(2-pyridylmethylsulfanyl)propane-1,3-diamine CAS Name: N,N-dibutyl-1-(2-pyridinylmethylthio)propane-1,3-diamine IUPAC Name: N,N-dibutyl-1-(pyridin-2-ylmethylsulfanyl)propane-1,3-diamine Traditional Name: [3-amino-1-(2-pyridylmethylthio)propyl]-dibutyl-amine Formula: C17H31N3S MolecularWeight: 309.51314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(CCN)SCC1=CC=CC=N1

Isomeric SMILES

CCCCN(CCCC)C(CCN)SCC1=CC=CC=N1

InChI

InChI=1S/C17H31N3S/c1-3-5-13-20(14-6-4-2)17(10-11-18)21-15-16-9-7-8-12-19-16/h7-9,12,17H,3-6,10-11,13-15,18H2,1-2H3