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butanamide, 2-[[5-(2-propenyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID IVvk1D3QU04
InChI InChI=1S/C23H20F3N5O2S/c1-3-13-31-17-8-6-5-7-16(17)19-20(31)28-22(30-29-19)34-18(4-2)21(32)27-14-9-11-15(12-10-14)33-23(24,25)26/h3,5-12,18H,1,4,13H2,2H3,(H,27,32)
InChIKey GUTDMDNVNPCWKG-UHFFFAOYSA-N
Mol Weight 487.5 g/mol
Molecular Formula C23H20F3N5O2S
Exact Mass 487.128981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjiCZ0t6l2P
Name 2-[(5-allyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]butanamide
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Formula C23H20F3N5O2S
InChI InChI=1S/C23H20F3N5O2S/c1-3-13-31-17-8-6-5-7-16(17)19-20(31)28-22(30-29-19)34-18(4-2)21(32)27-14-9-11-15(12-10-14)33-23(24,25)26/h3,5-12,18H,1,4,13H2,2H3,(H,27,32)
InChIKey GUTDMDNVNPCWKG-UHFFFAOYSA-N
Molecular Weight 487.501 g/mol
SMILES N(C(C(Sc1nc2c(c3ccccc3[n]2CC=C)nn1)CC)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-03di-1579000000-3383fd0803358928eb5e
Synonyms 2-[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-[4-(trifluoromethoxy)phenyl]butyramide 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]butanamide 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]butanamide 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-[4-(trifluoromethoxy)phenyl]butanamide
Wiley ID 1446509