3-(phenylmethylsulfanyl)-N-propyl-propan-1-amine

Systemtic Name: 3-(phenylmethylsulfanyl)-N-propyl-propan-1-amine Openeye Name: 3-benzylsulfanyl-N-propyl-propan-1-amine CAS Name: 3-(phenylmethylthio)-N-propyl-1-propanamine IUPAC Name: 3-benzylsulfanyl-N-propylpropan-1-amine Traditional Name: 3-(benzylthio)propyl-propyl-amine Formula: C13H21NS MolecularWeight: 223.37754

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCCSCC1=CC=CC=C1

Isomeric SMILES

CCCNCCCSCC1=CC=CC=C1

InChI

InChI=1S/C13H21NS/c1-2-9-14-10-6-11-15-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3