N-ethyl-3-[4-(3-methylbutylsulfanyl)phenyl]propan-1-amine

Systemtic Name: N-ethyl-3-[4-(3-methylbutylsulfanyl)phenyl]propan-1-amine Openeye Name: N-ethyl-3-(4-isopentylsulfanylphenyl)propan-1-amine CAS Name: N-ethyl-3-[4-(3-methylbutylthio)phenyl]-1-propanamine IUPAC Name: N-ethyl-3-[4-(3-methylbutylsulfanyl)phenyl]propan-1-amine Traditional Name: ethyl-[3-[4-(isoamylthio)phenyl]propyl]amine Formula: C16H27NS MolecularWeight: 265.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCCC1=CC=C(C=C1)SCCC(C)C

Isomeric SMILES

CCNCCCC1=CC=C(C=C1)SCCC(C)C

InChI

InChI=1S/C16H27NS/c1-4-17-12-5-6-15-7-9-16(10-8-15)18-13-11-14(2)3/h7-10,14,17H,4-6,11-13H2,1-3H3