ethyl 2-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]ethanoate Openeye Name: ethyl 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]carbamothioylamino]acetate CAS Name: 2-[[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazo]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]acetate Traditional Name: 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]thiocarbamoylamino]acetic acid ethyl ester Formula: C11H12ClF3N4O2S MolecularWeight: 356.75179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NNC1=C(C=C(C=N1)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)CNC(=S)NNC1=C(C=C(C=N1)C(F)(F)F)Cl

InChI

InChI=1S/C11H12ClF3N4O2S/c1-2-21-8(20)5-17-10(22)19-18-9-7(12)3-6(4-16-9)11(13,14)15/h3-4H,2,5H2,1H3,(H,16,18)(H2,17,19,22)