2-(1,3-dioxan-4-ylmethylsulfanyl)-5-(trifluoromethyl)aniline

Systemtic Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-5-(trifluoromethyl)aniline Openeye Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-5-(trifluoromethyl)aniline CAS Name: 2-(1,3-dioxan-4-ylmethylthio)-5-(trifluoromethyl)aniline IUPAC Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-5-(trifluoromethyl)aniline Traditional Name: [2-(1,3-dioxan-4-ylmethylthio)-5-(trifluoromethyl)phenyl]amine Formula: C12H14F3NO2S MolecularWeight: 293.30527

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

C1COCOC1CSC2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C12H14F3NO2S/c13-12(14,15)8-1-2-11(10(16)5-8)19-6-9-3-4-17-7-18-9/h1-2,5,9H,3-4,6-7,16H2