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

Systemtic Name: [4-(butan-2-ylsulfanylmethyl)-3-fluoranyl-phenyl]methanamine Openeye Name: [3-fluoro-4-(sec-butylsulfanylmethyl)phenyl]methanamine CAS Name: [4-[(butan-2-ylthio)methyl]-3-fluorophenyl]methanamine IUPAC Name: [4-(butan-2-ylsulfanylmethyl)-3-fluorophenyl]methanamine Traditional Name: [3-fluoro-4-[(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=C(C=C1)CN)F

Isomeric SMILES

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

InChI

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