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

Systemtic Name: N,N-diethyl-3-[4-(3-methylbutylsulfanyl)phenyl]propan-1-amine Openeye Name: N,N-diethyl-3-(4-isopentylsulfanylphenyl)propan-1-amine CAS Name: N,N-diethyl-3-[4-(3-methylbutylthio)phenyl]-1-propanamine IUPAC Name: N,N-diethyl-3-[4-(3-methylbutylsulfanyl)phenyl]propan-1-amine Traditional Name: diethyl-[3-[4-(isoamylthio)phenyl]propyl]amine Formula: C18H31NS MolecularWeight: 293.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1=CC=C(C=C1)SCCC(C)C

Isomeric SMILES

CCN(CC)CCCC1=CC=C(C=C1)SCCC(C)C

InChI

InChI=1S/C18H31NS/c1-5-19(6-2)14-7-8-17-9-11-18(12-10-17)20-15-13-16(3)4/h9-12,16H,5-8,13-15H2,1-4H3