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3-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-cyano-3-sulfanylidene-propanoic acid

3-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-cyano-3-sulfanylidene-propanoic acid

Systemtic Name:3-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-cyano-3-sulfanylidene-propanoic acid
Openeye Name:3-[3,5-bis(trifluoromethyl)anilino]-2-cyano-3-thioxo-propanoic acid
CAS Name:3-[3,5-bis(trifluoromethyl)anilino]-2-cyano-3-sulfanylidenepropanoic acid
IUPAC Name:3-[3,5-bis(trifluoromethyl)anilino]-2-cyano-3-sulfanylidenepropanoic acid
Traditional Name:3-[3,5-bis(trifluoromethyl)anilino]-2-cyano-3-thioxo-propionic acid
Formula: C12H6F6N2O2S
MolecularWeight: 356.243659
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC(=S)C(C#N)C(=O)O)C(F)(F)F


Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC(=S)C(C#N)C(=O)O)C(F)(F)F


InChI

InChI=1S/C12H6F6N2O2S/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)20-9(23)8(4-19)10(21)22/h1-3,8H,(H,20,23)(H,21,22)


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