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N-(5-(5-Amino-6,8-dicyano-7-(p-tolyl)phenyl-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 3v36iVg547v
InChI InChI=1S/C27H22N6O2S3/c1-15-4-8-18(9-5-15)23-20(12-28)25(30)33-22(14-36-26(33)21(23)13-29)24-17(3)31-27(37-24)32-38(34,35)19-10-6-16(2)7-11-19/h4-11,14,23H,30H2,1-3H3,(H,31,32)
InChIKey UGOYNBSPMLNLJX-UHFFFAOYSA-N
Mol Weight 558.69 g/mol
Molecular Formula C27H22N6O2S3
Exact Mass 558.096637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BKL8uIyhvI
Name N-(5-(5-Amino-6,8-dicyano-7-(p-tolyl)phenyl-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
Appearance Brownish yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N6O2S3
InChI InChI=1S/C27H22N6O2S3/c1-15-4-8-18(9-5-15)23-20(12-28)25(30)33-22(14-36-26(33)21(23)13-29)24-17(3)31-27(37-24)32-38(34,35)19-10-6-16(2)7-11-19/h4-11,14,23H,30H2,1-3H3,(H,31,32)
InChIKey UGOYNBSPMLNLJX-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 558.693 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(C=2N3C(=C(C(C(=C3N)C#N)c3ccc(cc3)C)C#N)SC2)s1)C
SPLASH splash10-00kf-4351090000-8939f118e2c6840a3f07
Source of Spectrum Y-57-2869-4b
Wiley ID 1860257