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3-Cyanomethyl-8,9-diphenylpyridazino[4',3' : 4,5]thieno[3,2-d]-1,2,3-triazin-4(3H)-one

View entire compound with spectra: 1 MS (GC)

3-Cyanomethyl-8,9-diphenylpyridazino[4',3' : 4,5]thieno[3,2-d]-1,2,3-triazin-4(3H)-one
SpectraBase Compound ID GdnA90dMwbc
InChI InChI=1S/C21H12N6OS/c22-11-12-27-21(28)19-18(24-26-27)16-15(13-7-3-1-4-8-13)17(23-25-20(16)29-19)14-9-5-2-6-10-14/h1-10H,12H2
InChIKey ZDZRTGLJYIATCS-UHFFFAOYSA-N
Mol Weight 396.43 g/mol
Molecular Formula C21H12N6OS
Exact Mass 396.07933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQ8fvGsAp8X
Name 3-Cyanomethyl-8,9-diphenylpyridazino[4',3' : 4,5]thieno[3,2-d]-1,2,3-triazin-4(3H)-one
Alternate Name(s) (4-oxo-8,9-diphenylpyridazino[4',3':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12N6OS
InChI InChI=1S/C21H12N6OS/c22-11-12-27-21(28)19-18(24-26-27)16-15(13-7-3-1-4-8-13)17(23-25-20(16)29-19)14-9-5-2-6-10-14/h1-10H,12H2
InChIKey ZDZRTGLJYIATCS-UHFFFAOYSA-N
Molecular Weight 396.428 g/mol
SMILES c12c(c3c(c(-c4ccccc4)nnc3s1)-c1ccccc1)N=NN(C2=O)CC#N
SPLASH splash10-0fbj-0019000000-f90e3bb7d03ed3ca8389
Source of Spectrum AH-127-1040-3
Wiley ID 1367397