2-(oxan-2-ylmethylsulfanyl)-5-(trifluoromethyl)aniline

Systemtic Name: 2-(oxan-2-ylmethylsulfanyl)-5-(trifluoromethyl)aniline Openeye Name: 2-(tetrahydropyran-2-ylmethylsulfanyl)-5-(trifluoromethyl)aniline CAS Name: 2-(2-oxanylmethylthio)-5-(trifluoromethyl)aniline IUPAC Name: 2-(oxan-2-ylmethylsulfanyl)-5-(trifluoromethyl)aniline Traditional Name: [2-(tetrahydropyran-2-ylmethylthio)-5-(trifluoromethyl)phenyl]amine Formula: C13H16F3NOS MolecularWeight: 291.33245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

C1CCOC(C1)CSC2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C13H16F3NOS/c14-13(15,16)9-4-5-12(11(17)7-9)19-8-10-3-1-2-6-18-10/h4-5,7,10H,1-3,6,8,17H2