methyl (E)-3-(2-azanylidene-1-cyano-propyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (E)-3-(2-azanylidene-1-cyano-propyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (E)-3-(1-cyano-2-imino-propyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate CAS Name: (E)-3-[(1-cyano-2-iminopropyl)thio]-3-fluoro-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1-cyano-2-iminopropyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate Traditional Name: (E)-3-[(1-cyano-2-imino-propyl)thio]-3-fluoro-2-(trifluoromethyl)acrylic acid methyl ester Formula: C9H8F4N2O2S MolecularWeight: 284.230633

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)SC(=C(C(=O)OC)C(F)(F)F)F

Isomeric SMILES

CC(=N)C(C#N)S/C(=C(\C(=O)OC)/C(F)(F)F)/F

InChI

InChI=1S/C9H8F4N2O2S/c1-4(15)5(3-14)18-7(10)6(8(16)17-2)9(11,12)13/h5,15H,1-2H3/b7-6+,15-4?