O-phenethyl [1-cyano-4,4,4-tris(fluoranyl)butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-phenethyl [1-cyano-4,4,4-tris(fluoranyl)butan-2-yl]sulfanylmethanethioate Openeye Name: O-phenethyl [1-(cyanomethyl)-3,3,3-trifluoro-propyl]sulfanylmethanethioate CAS Name: [(1-cyano-4,4,4-trifluorobutan-2-yl)thio]methanethioic acid O-phenethyl ester IUPAC Name: O-phenethyl (1-cyano-4,4,4-trifluorobutan-2-yl)sulfanylmethanethioate Traditional Name: [[1-(cyanomethyl)-3,3,3-trifluoro-propyl]thio]methanethioic acid O-phenethyl ester Formula: C14H14F3NOS2 MolecularWeight: 333.39227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=S)SC(CC#N)CC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=S)SC(CC#N)CC(F)(F)F

InChI

InChI=1S/C14H14F3NOS2/c15-14(16,17)10-12(6-8-18)21-13(20)19-9-7-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2