4-phenylsulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)aniline

Systemtic Name: 4-phenylsulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)aniline Openeye Name: 4-phenylsulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)aniline CAS Name: 4-(phenylthio)-N-prop-2-ynyl-3-(trifluoromethyl)aniline IUPAC Name: 4-phenylsulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)aniline Traditional Name: [4-(phenylthio)-3-(trifluoromethyl)phenyl]-propargyl-amine Formula: C16H12F3NS MolecularWeight: 307.33339

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC(=C(C=C1)SC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

C#CCNC1=CC(=C(C=C1)SC2=CC=CC=C2)C(F)(F)F

InChI

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