[3-(butan-2-ylsulfanylmethyl)-4-fluoranyl-phenyl]methanamine

Systemtic Name: [3-(butan-2-ylsulfanylmethyl)-4-fluoranyl-phenyl]methanamine Openeye Name: [4-fluoro-3-(sec-butylsulfanylmethyl)phenyl]methanamine CAS Name: [3-[(butan-2-ylthio)methyl]-4-fluorophenyl]methanamine IUPAC Name: [3-(butan-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine Traditional Name: [4-fluoro-3-[(sec-butylthio)methyl]benzyl]amine Formula: C12H18FNS MolecularWeight: 227.341423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(C=CC(=C1)CN)F

Isomeric SMILES

CCC(C)SCC1=C(C=CC(=C1)CN)F

InChI

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