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N-(5-(5-Amino-4-cyano-3-(4-methoxyphenyl)-2,3-dihydrothiophene-2-carbonyl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 1a9sGr1piT2
InChI InChI=1S/C24H22N4O4S3/c1-13-4-10-17(11-5-13)35(30,31)28-24-27-14(2)21(34-24)20(29)22-19(18(12-25)23(26)33-22)15-6-8-16(32-3)9-7-15/h4-11,19,22H,26H2,1-3H3,(H,27,28)
InChIKey KSVONGPUFRTXBT-UHFFFAOYSA-N
Mol Weight 526.64 g/mol
Molecular Formula C24H22N4O4S3
Exact Mass 526.080319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qX7B5MYnQ
Name N-(5-(5-Amino-4-cyano-3-(4-methoxyphenyl)-2,3-dihydrothiophene-2-carbonyl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N4O4S3
InChI InChI=1S/C24H22N4O4S3/c1-13-4-10-17(11-5-13)35(30,31)28-24-27-14(2)21(34-24)20(29)22-19(18(12-25)23(26)33-22)15-6-8-16(32-3)9-7-15/h4-11,19,22H,26H2,1-3H3,(H,27,28)
InChIKey KSVONGPUFRTXBT-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 526.644 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(C(C2C(C(=C(S2)N)C#N)c2ccc(cc2)OC)=O)s1)C
SPLASH splash10-0ar0-3391330000-9a6395c112783a33c8a4
Source of Spectrum Y-57-2870-6c
Wiley ID 1860263