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N-(5-(5-Amino-6,8-dicyano-7-(4-methoxyphenyl)-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide

View entire compound with spectra: 1 MS (GC)

N-(5-(5-Amino-6,8-dicyano-7-(4-methoxyphenyl)-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID G5ITsyLFtKr
InChI InChI=1S/C27H22N6O3S3/c1-15-4-10-19(11-5-15)39(34,35)32-27-31-16(2)24(38-27)22-14-37-26-21(13-29)23(20(12-28)25(30)33(22)26)17-6-8-18(36-3)9-7-17/h4-11,14,23H,30H2,1-3H3,(H,31,32)
InChIKey JZEABSDANWEJHA-UHFFFAOYSA-N
Mol Weight 574.69 g/mol
Molecular Formula C27H22N6O3S3
Exact Mass 574.091552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0yxN19l7vi
Name N-(5-(5-Amino-6,8-dicyano-7-(4-methoxyphenyl)-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
Appearance Pale black crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N6O3S3
InChI InChI=1S/C27H22N6O3S3/c1-15-4-10-19(11-5-15)39(34,35)32-27-31-16(2)24(38-27)22-14-37-26-21(13-29)23(20(12-28)25(30)33(22)26)17-6-8-18(36-3)9-7-17/h4-11,14,23H,30H2,1-3H3,(H,31,32)
InChIKey JZEABSDANWEJHA-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 574.692 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(C=2N3C(=C(C(C(=C3N)C#N)c3ccc(cc3)OC)C#N)SC2)s1)C
SPLASH splash10-092c-3549380000-54c8dd176712f205b6f5
Source of Spectrum Y-57-2869-4c
Wiley ID 1860258