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5-isopropyl-3-[[3-(trifluoromethyl)benzyl]thio]-[1,2,4]triazin[5,6-b]indole
SpectraBase Compound ID INuSI4tI7k8
InChI InChI=1S/C20H17F3N4S/c1-12(2)27-16-9-4-3-8-15(16)17-18(27)24-19(26-25-17)28-11-13-6-5-7-14(10-13)20(21,22)23/h3-10,12H,11H2,1-2H3
InChIKey QHZZTBRWBXRULW-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C20H17F3N4S
Exact Mass 402.112602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AKstKhEt91
Name 5-isopropyl-3-[[3-(trifluoromethyl)benzyl]thio]-[1,2,4]triazin[5,6-b]indole
Alternate Name(s) 5-isopropyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazino[5,6-b]indole 5-Propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazino[5,6-b]indole 5-Propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylthio]-[1,2,4]triazino[5,6-b]indole
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Formula C20H17F3N4S
InChI InChI=1S/C20H17F3N4S/c1-12(2)27-16-9-4-3-8-15(16)17-18(27)24-19(26-25-17)28-11-13-6-5-7-14(10-13)20(21,22)23/h3-10,12H,11H2,1-2H3
InChIKey QHZZTBRWBXRULW-UHFFFAOYSA-N
Molecular Weight 402.439 g/mol
SMILES c12c(c3ccccc3[n]2C(C)C)nnc(n1)SCc1cc(C(F)(F)F)ccc1
SPLASH splash10-0pi0-2900100000-c8f0f1bc74d1e05f15f3
Wiley ID 1460388