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N-(5-(5-Amino-6,8-dicyano-7-phenyl-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthi-azol-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 2p2F2NDC2Y
InChI InChI=1S/C26H20N6O2S3/c1-15-8-10-18(11-9-15)37(33,34)31-26-30-16(2)23(36-26)21-14-35-25-20(13-28)22(17-6-4-3-5-7-17)19(12-27)24(29)32(21)25/h3-11,14,22H,29H2,1-2H3,(H,30,31)
InChIKey RKLIXXGRBWNFCH-UHFFFAOYSA-N
Mol Weight 544.67 g/mol
Molecular Formula C26H20N6O2S3
Exact Mass 544.080987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyTl8vBVfOc
Name N-(5-(5-Amino-6,8-dicyano-7-phenyl-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthi-azol-2-yl)-4-methylbenzenesulfonamide
Appearance Dark brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20N6O2S3
InChI InChI=1S/C26H20N6O2S3/c1-15-8-10-18(11-9-15)37(33,34)31-26-30-16(2)23(36-26)21-14-35-25-20(13-28)22(17-6-4-3-5-7-17)19(12-27)24(29)32(21)25/h3-11,14,22H,29H2,1-2H3,(H,30,31)
InChIKey RKLIXXGRBWNFCH-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 544.666 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(C=2N3C(=C(C(C(=C3N)C#N)c3ccccc3)C#N)SC2)s1)C
SPLASH splash10-014r-4394320000-cde999a3d6e69baa6162
Source of Spectrum Y-57-2868-4a
Wiley ID 1860256