4-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]benzoic acid

Systemtic Name: 4-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]benzoic acid Openeye Name: 4-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]benzoic acid CAS Name: 4-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]thio]benzoic acid IUPAC Name: 4-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]benzoic acid Traditional Name: 4-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]thio]benzoic acid Formula: C17H9F3N4O2S MolecularWeight: 390.33917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C3=NN=C(N23)C(F)(F)F)SC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C3=NN=C(N23)C(F)(F)F)SC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C17H9F3N4O2S/c18-17(19,20)16-23-22-13-14(21-11-3-1-2-4-12(11)24(13)16)27-10-7-5-9(6-8-10)15(25)26/h1-8H,(H,25,26)