3-ethynyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline

Systemtic Name: 3-ethynyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline Openeye Name: 3-ethynyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline CAS Name: 3-ethynyl-N-[[4-(trifluoromethylthio)phenyl]methyl]aniline IUPAC Name: 3-ethynyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline Traditional Name: (3-ethynylphenyl)-[4-(trifluoromethylthio)benzyl]amine Formula: C16H12F3NS MolecularWeight: 307.33339

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C16H12F3NS/c1-2-12-4-3-5-14(10-12)20-11-13-6-8-15(9-7-13)21-16(17,18)19/h1,3-10,20H,11H2