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2-Propenoic acid, 2-cyano-3-[[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]amino]-3-phenyl-, ethyl ester

View entire compound with spectra: 1 MS (GC)

2-Propenoic acid, 2-cyano-3-[[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]amino]-3-phenyl-, ethyl ester
SpectraBase Compound ID IG6XD9QXuqI
InChI InChI=1S/C28H25N5O2S/c1-4-35-27(34)23(18-29)25(20-10-6-5-7-11-20)30-24-13-9-8-12-22(24)26-31-32-28(36-3)33(26)21-16-14-19(2)15-17-21/h5-17,30H,4H2,1-3H3/b25-23-
InChIKey RIUYVJRCUQZJHB-BZZOAKBMSA-N
Mol Weight 495.6 g/mol
Molecular Formula C28H25N5O2S
Exact Mass 495.172896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTnEYWKaHCa
Name 2-Propenoic acid, 2-cyano-3-[[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]amino]-3-phenyl-, ethyl ester
CAS Registry Number 104573-96-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25N5O2S
InChI InChI=1S/C28H25N5O2S/c1-4-35-27(34)23(18-29)25(20-10-6-5-7-11-20)30-24-13-9-8-12-22(24)26-31-32-28(36-3)33(26)21-16-14-19(2)15-17-21/h5-17,30H,4H2,1-3H3/b25-23-
InChIKey RIUYVJRCUQZJHB-BZZOAKBMSA-N
Molecular Weight 495.601 g/mol
SMILES N(\C(=C/(C(=O)OCC)C#N)c1ccccc1)c1c(-c2[n](c(SC)nn2)-c2ccc(cc2)C)cccc1
SPLASH splash10-053r-2139400000-ba33581d5096e97a43c9
Source of Spectrum Y-22-1192-5
Synonyms 5-((2-(2-cyano-2-ethoxycarbonyl-1-phenyl-ethenyl)-amino)-phenyl)-3-methylthio-4-(4-methylphenyl)-1,2,4-triazole Ethyl (2Z)-2-cyano-3-{2-[4-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]anilino}-3-phenyl-2-propenoate
Wiley ID 1398092