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

Systemtic Name: N-ethyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine Openeye Name: N-ethyl-3-(4-isopentylsulfanylphenyl)butan-1-amine CAS Name: N-ethyl-3-[4-(3-methylbutylthio)phenyl]-1-butanamine IUPAC Name: N-ethyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine Traditional Name: ethyl-[3-[4-(isoamylthio)phenyl]butyl]amine Formula: C17H29NS MolecularWeight: 279.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCC(C)C1=CC=C(C=C1)SCCC(C)C

Isomeric SMILES

CCNCCC(C)C1=CC=C(C=C1)SCCC(C)C

InChI

InChI=1S/C17H29NS/c1-5-18-12-10-15(4)16-6-8-17(9-7-16)19-13-11-14(2)3/h6-9,14-15,18H,5,10-13H2,1-4H3