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N-(B-Cyanoethyl)-N-ethyl-3-methyl-4(6-methylsulphonylbenzthiazol-2-ylazo)aniline
SpectraBase Compound ID AhPRpiVlr8
InChI InChI=1S/C20H21N5O2S2/c1-4-25(11-5-10-21)15-6-8-17(14(2)12-15)23-24-20-22-18-9-7-16(29(3,26)27)13-19(18)28-20/h6-9,12-13H,4-5,11H2,1-3H3/b24-23+
InChIKey IMWICXCTLULCFP-WCWDXBQESA-N
Mol Weight 427.54 g/mol
Molecular Formula C20H21N5O2S2
Exact Mass 427.113667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvOj9wMBnJB
Name N-(B-Cyanoethyl)-N-ethyl-3-methyl-4(6-methylsulphonylbenzthiazol-2-ylazo)aniline
Alternate Name(s) 3-(ethyl-3-methyl-4-{(E)-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}anilino)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N5O2S2
InChI InChI=1S/C20H21N5O2S2/c1-4-25(11-5-10-21)15-6-8-17(14(2)12-15)23-24-20-22-18-9-7-16(29(3,26)27)13-19(18)28-20/h6-9,12-13H,4-5,11H2,1-3H3/b24-23+
InChIKey IMWICXCTLULCFP-WCWDXBQESA-N
Molecular Weight 427.541 g/mol
SMILES c1(nc2ccc(S(=O)(=O)C)cc2s1)\N=N\c1c(cc(cc1)N(CCC#N)CC)C
SPLASH splash10-03gs-0920000000-27c4714182f8452c33eb
Source of Spectrum IC-1152-0-0
Wiley ID 1380344