sodium (Z)-3-cyano-4-sulfanylidene-4-[[4-(trifluoromethyl)phenyl]amino]but-2-en-2-olate

Systemtic Name: sodium (Z)-3-cyano-4-sulfanylidene-4-[[4-(trifluoromethyl)phenyl]amino]but-2-en-2-olate Openeye Name: sodium (Z)-3-cyano-4-thioxo-4-[4-(trifluoromethyl)anilino]but-2-en-2-olate CAS Name: sodium (Z)-3-cyano-4-sulfanylidene-4-[4-(trifluoromethyl)anilino]-2-buten-2-olate IUPAC Name: sodium (Z)-3-cyano-4-sulfanylidene-4-[4-(trifluoromethyl)anilino]but-2-en-2-olate Traditional Name: sodium (Z)-3-cyano-4-thioxo-4-[4-(trifluoromethyl)anilino]but-2-en-2-olate Formula: C12H8F3N2NaOS MolecularWeight: 308.2547

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=S)NC1=CC=C(C=C1)C(F)(F)F)[O-].[Na+]

Isomeric SMILES

C/C(=C(\C#N)/C(=S)NC1=CC=C(C=C1)C(F)(F)F)/[O-].[Na+]

InChI

InChI=1S/C12H9F3N2OS.Na/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15;/h2-5,18H,1H3,(H,17,19);/q;+1/p-1/b10-7-;