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3-(4-Isopropylthiazol-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 16kqlhTE1Gz
InChI InChI=1S/C18H21N5O3S2/c1-9(2)11-8-27-17(19-11)15-20-21-18-23(15)22-16(28-18)10-6-12(24-3)14(26-5)13(7-10)25-4/h6-9,16,22H,1-5H3
InChIKey CPXVGPIZYVVKMO-UHFFFAOYSA-N
Mol Weight 419.52 g/mol
Molecular Formula C18H21N5O3S2
Exact Mass 419.108582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1topzWrDzWP
Name 3-(4-Isopropylthiazol-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Alternate Name(s) 3-(4-propan-2-yl-2-thiazolyl)-6-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N5O3S2
InChI InChI=1S/C18H21N5O3S2/c1-9(2)11-8-27-17(19-11)15-20-21-18-23(15)22-16(28-18)10-6-12(24-3)14(26-5)13(7-10)25-4/h6-9,16,22H,1-5H3
InChIKey CPXVGPIZYVVKMO-UHFFFAOYSA-N
Molecular Weight 419.518 g/mol
SMILES N1C(Sc2[n]1c(nn2)-c1nc(C(C)C)cs1)c1cc(OC)c(c(c1)OC)OC
SPLASH splash10-00di-0000900000-4dd281a968fc2ea78afd
Source of Spectrum F2-45-5125-3d
Wiley ID 1703743