2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]butan-1-ol

Systemtic Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]butan-1-ol Openeye Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]butan-1-ol CAS Name: 2-[[4-(trifluoromethylthio)phenyl]methylamino]-1-butanol IUPAC Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]butan-1-ol Traditional Name: 2-[[4-(trifluoromethylthio)benzyl]amino]butan-1-ol Formula: C12H16F3NOS MolecularWeight: 279.32175

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CCC(CO)NCC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C12H16F3NOS/c1-2-10(8-17)16-7-9-3-5-11(6-4-9)18-12(13,14)15/h3-6,10,16-17H,2,7-8H2,1H3