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

Systemtic Name: 3-azanyl-2-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-sulfanylidene-propanoic acid Openeye Name: 3-amino-2-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-thioxo-propanoic acid CAS Name: 3-amino-2-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-sulfanylidenepropanoic acid IUPAC Name: 3-amino-2-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-sulfanylidenepropanoic acid Traditional Name: 3-amino-2-[3,5-bis(trifluoromethyl)phenyl]-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)C(F)(F)F)C(C#N)(C(=S)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H6F6N2O2S/c13-11(14,15)6-1-5(2-7(3-6)12(16,17)18)10(4-19,8(20)23)9(21)22/h1-3H,(H2,20,23)(H,21,22)