methyl 4-[[7-chloranyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]butanoate

Systemtic Name: methyl 4-[[7-chloranyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]butanoate Openeye Name: methyl 4-[[7-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]butanoate CAS Name: 4-[[7-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[[7-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]butanoate Traditional Name: 4-[[7-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]thio]butyric acid methyl ester Formula: C15H12ClF3N4O2S MolecularWeight: 404.79459

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NC2=C(C=CC(=C2)Cl)N3C1=NN=C3C(F)(F)F

Isomeric SMILES

COC(=O)CCCSC1=NC2=C(C=CC(=C2)Cl)N3C1=NN=C3C(F)(F)F

InChI

InChI=1S/C15H12ClF3N4O2S/c1-25-11(24)3-2-6-26-13-12-21-22-14(15(17,18)19)23(12)10-5-4-8(16)7-9(10)20-13/h4-5,7H,2-3,6H2,1H3