1-(4-butylsulfanyl-3-fluoranyl-phenyl)ethanamine

Systemtic Name: 1-(4-butylsulfanyl-3-fluoranyl-phenyl)ethanamine Openeye Name: 1-(4-butylsulfanyl-3-fluoro-phenyl)ethanamine CAS Name: 1-[4-(butylthio)-3-fluorophenyl]ethanamine IUPAC Name: 1-(4-butylsulfanyl-3-fluorophenyl)ethanamine Traditional Name: 1-[4-(butylthio)-3-fluoro-phenyl]ethylamine Formula: C12H18FNS MolecularWeight: 227.341423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C(C)N)F

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C(C)N)F

InChI

InChI=1S/C12H18FNS/c1-3-4-7-15-12-6-5-10(9(2)14)8-11(12)13/h5-6,8-9H,3-4,7,14H2,1-2H3