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6-Amino-2-(benzo[d]thiazol-2-yl(cyano)methyl)-5-tosylnicotinonitrile
SpectraBase Compound ID 2qfjNzIwASi
InChI InChI=1S/C22H15N5O2S2/c1-13-6-8-15(9-7-13)31(28,29)19-10-14(11-23)20(27-21(19)25)16(12-24)22-26-17-4-2-3-5-18(17)30-22/h2-10,16H,1H3,(H2,25,27)
InChIKey XOEIZDJTFMRKPE-UHFFFAOYSA-N
Mol Weight 445.52 g/mol
Molecular Formula C22H15N5O2S2
Exact Mass 445.066717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LunMI22xHsW
Name 6-Amino-2-(benzo[d]thiazol-2-yl(cyano)methyl)-5-tosylnicotinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15N5O2S2
InChI InChI=1S/C22H15N5O2S2/c1-13-6-8-15(9-7-13)31(28,29)19-10-14(11-23)20(27-21(19)25)16(12-24)22-26-17-4-2-3-5-18(17)30-22/h2-10,16H,1H3,(H2,25,27)
InChIKey XOEIZDJTFMRKPE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100335
Molecular Weight 445.515 g/mol
SMILES Nc1c(cc(C#N)c(C(C#N)c2sc3c(n2)cccc3)n1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0uds-5390800000-d0f7cf48c5994b997ed9
Source of Spectrum APC-345-383-9b
Wiley ID 1769373