1-[3-fluoranyl-4-(2-methylpropylsulfanyl)phenyl]ethanamine

Systemtic Name: 1-[3-fluoranyl-4-(2-methylpropylsulfanyl)phenyl]ethanamine Openeye Name: 1-(3-fluoro-4-isobutylsulfanyl-phenyl)ethanamine CAS Name: 1-[3-fluoro-4-(2-methylpropylthio)phenyl]ethanamine IUPAC Name: 1-[3-fluoro-4-(2-methylpropylsulfanyl)phenyl]ethanamine Traditional Name: 1-[3-fluoro-4-(isobutylthio)phenyl]ethylamine Formula: C12H18FNS MolecularWeight: 227.341423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C(C)N)F

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C(C)N)F

InChI

InChI=1S/C12H18FNS/c1-8(2)7-15-12-5-4-10(9(3)14)6-11(12)13/h4-6,8-9H,7,14H2,1-3H3