ethyl 4-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H14ClF3N4O2S MolecularWeight: 418.82117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H14ClF3N4O2S/c1-2-26-14(25)9-3-5-11(6-4-9)22-15(27)24-23-13-12(17)7-10(8-21-13)16(18,19)20/h3-8H,2H2,1H3,(H,21,23)(H2,22,24,27)