1-(4-butan-2-ylsulfanyl-3-fluoranyl-phenyl)ethanamine

Systemtic Name: 1-(4-butan-2-ylsulfanyl-3-fluoranyl-phenyl)ethanamine Openeye Name: 1-(3-fluoro-4-sec-butylsulfanyl-phenyl)ethanamine CAS Name: 1-[4-(butan-2-ylthio)-3-fluorophenyl]ethanamine IUPAC Name: 1-(4-butan-2-ylsulfanyl-3-fluorophenyl)ethanamine Traditional Name: 1-[3-fluoro-4-(sec-butylthio)phenyl]ethylamine Formula: C12H18FNS MolecularWeight: 227.341423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C=C1)C(C)N)F

Isomeric SMILES

CCC(C)SC1=C(C=C(C=C1)C(C)N)F

InChI

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