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N-(5-(5-Amino-4-cyano-3-phenyl-2,3-dihydrothiophene-2-carbonyl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 5aiICYY9ik0
InChI InChI=1S/C23H20N4O3S3/c1-13-8-10-16(11-9-13)33(29,30)27-23-26-14(2)20(32-23)19(28)21-18(15-6-4-3-5-7-15)17(12-24)22(25)31-21/h3-11,18,21H,25H2,1-2H3,(H,26,27)
InChIKey WWQRKYOUECINIG-UHFFFAOYSA-N
Mol Weight 496.62 g/mol
Molecular Formula C23H20N4O3S3
Exact Mass 496.069754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31OR1WHT4Y0
Name N-(5-(5-Amino-4-cyano-3-phenyl-2,3-dihydrothiophene-2-carbonyl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
Appearance Brownish red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N4O3S3
InChI InChI=1S/C23H20N4O3S3/c1-13-8-10-16(11-9-13)33(29,30)27-23-26-14(2)20(32-23)19(28)21-18(15-6-4-3-5-7-15)17(12-24)22(25)31-21/h3-11,18,21H,25H2,1-2H3,(H,26,27)
InChIKey WWQRKYOUECINIG-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 496.618 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(C(C2C(C(=C(S2)N)C#N)c2ccccc2)=O)s1)C
SPLASH splash10-002u-4392400000-3bf124a7b2e4f76d9687
Source of Spectrum Y-57-2870-6a
Wiley ID 1860261