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3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-7,8,9,9a-tetrahydro-6H-benzo[e][1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 5bNUNHTe4MN
InChI InChI=1S/C17H16ClN7S/c1-10-15(19-23-24(10)12-8-6-11(18)7-9-12)16-20-21-17-25(16)22-13-4-2-3-5-14(13)26-17/h6-9,14H,2-5H2,1H3
InChIKey MCALUVRMTWBSSZ-UHFFFAOYSA-N
Mol Weight 385.88 g/mol
Molecular Formula C17H16ClN7S
Exact Mass 385.087642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvwW1wir7MX
Name 3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-7,8,9,9a-tetrahydro-6H-benzo[e][1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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Formula C17H16ClN7S
InChI InChI=1S/C17H16ClN7S/c1-10-15(19-23-24(10)12-8-6-11(18)7-9-12)16-20-21-17-25(16)22-13-4-2-3-5-14(13)26-17/h6-9,14H,2-5H2,1H3
InChIKey MCALUVRMTWBSSZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000149
Molecular Weight 385.877 g/mol
SMILES c12[n](N=C3C(S2)CCCC3)c(nn1)-c1nn[n](c1C)-c1ccc(cc1)Cl
SPLASH splash10-03dl-1913000000-5c25f15829accf79b8dd
Source of Spectrum QA-47-1118-5b
Wiley ID 1795134