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N-(5-(5-Amino-7-(4-chlorophenyl)-6,8-dicyano-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID Dn59trcdzpv
InChI InChI=1S/C26H19ClN6O2S3/c1-14-3-9-18(10-4-14)38(34,35)32-26-31-15(2)23(37-26)21-13-36-25-20(12-29)22(16-5-7-17(27)8-6-16)19(11-28)24(30)33(21)25/h3-10,13,22H,30H2,1-2H3,(H,31,32)
InChIKey LHEFDERURJTSGR-UHFFFAOYSA-N
Mol Weight 579.11 g/mol
Molecular Formula C26H19ClN6O2S3
Exact Mass 578.042015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABY3sTaj5nj
Name N-(5-(5-Amino-7-(4-chlorophenyl)-6,8-dicyano-7H-thiazolo[3,2-a]pyridin-3-yl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19ClN6O2S3
InChI InChI=1S/C26H19ClN6O2S3/c1-14-3-9-18(10-4-14)38(34,35)32-26-31-15(2)23(37-26)21-13-36-25-20(12-29)22(16-5-7-17(27)8-6-16)19(11-28)24(30)33(21)25/h3-10,13,22H,30H2,1-2H3,(H,31,32)
InChIKey LHEFDERURJTSGR-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 579.111 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(C=2N3C(=C(C(C(=C3N)C#N)c3ccc(cc3)Cl)C#N)SC2)s1)C
SPLASH splash10-06vu-1295130000-5b822e2945da346a5739
Source of Spectrum Y-57-2869-4d
Wiley ID 1860259