[3-(tert-butylsulfanylmethyl)-4-fluoranyl-phenyl]methanamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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