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N-(5-(5-Amino-3-(4-chlorophenyl)-4-cyano-2,3-dihydrothiophene-2-carbonyl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID De6dwL3pQ5F
InChI InChI=1S/C23H19ClN4O3S3/c1-12-3-9-16(10-4-12)34(30,31)28-23-27-13(2)20(33-23)19(29)21-18(17(11-25)22(26)32-21)14-5-7-15(24)8-6-14/h3-10,18,21H,26H2,1-2H3,(H,27,28)
InChIKey AVWZIYGRHRMWLT-UHFFFAOYSA-N
Mol Weight 531.06 g/mol
Molecular Formula C23H19ClN4O3S3
Exact Mass 530.030782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wLLd15jLsw
Name N-(5-(5-Amino-3-(4-chlorophenyl)-4-cyano-2,3-dihydrothiophene-2-carbonyl)-4-methylthiazol-2-yl)-4-methylbenzenesulfonamide
Appearance Brown red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19ClN4O3S3
InChI InChI=1S/C23H19ClN4O3S3/c1-12-3-9-16(10-4-12)34(30,31)28-23-27-13(2)20(33-23)19(29)21-18(17(11-25)22(26)32-21)14-5-7-15(24)8-6-14/h3-10,18,21H,26H2,1-2H3,(H,27,28)
InChIKey AVWZIYGRHRMWLT-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 531.063 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(C(C2C(C(=C(S2)N)C#N)c2ccc(cc2)Cl)=O)s1)C
SPLASH splash10-000i-2498530000-f3ee79d30c67e32784a4
Source of Spectrum Y-57-2870-6d
Wiley ID 1860264