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2-Propenamide, 2-cyano-3-[[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]amino]-3-phenyl-
SpectraBase Compound ID EpLsu3B2x1h
InChI InChI=1S/C26H22N6OS/c1-17-12-14-19(15-13-17)32-25(30-31-26(32)34-2)20-10-6-7-11-22(20)29-23(21(16-27)24(28)33)18-8-4-3-5-9-18/h3-15,29H,1-2H3,(H2,28,33)/b23-21-
InChIKey GMZWGAFFAAVVRS-LNVKXUELSA-N
Mol Weight 466.56 g/mol
Molecular Formula C26H22N6OS
Exact Mass 466.157581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oKvPDTx0Z9
Name 2-Propenamide, 2-cyano-3-[[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]amino]-3-phenyl-
Alternate Name(s) (2Z)-2-cyano-3-{2-[4-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]anilino}-3-phenyl-2-propenamide 5-((2-(2-cyano-2-carbamoyl-1-phenyl-ethenyl)-amino)-phenyl)-3-methylthio-4-(4-methylphenyl)-1,2,4-triazole
CAS Registry Number 104573-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N6OS
InChI InChI=1S/C26H22N6OS/c1-17-12-14-19(15-13-17)32-25(30-31-26(32)34-2)20-10-6-7-11-22(20)29-23(21(16-27)24(28)33)18-8-4-3-5-9-18/h3-15,29H,1-2H3,(H2,28,33)/b23-21-
InChIKey GMZWGAFFAAVVRS-LNVKXUELSA-N
Molecular Weight 466.563 g/mol
SMILES N(\C(=C/(C(=O)N)C#N)c1ccccc1)c1c(-c2[n](c(SC)nn2)-c2ccc(cc2)C)cccc1
SPLASH splash10-0udi-1119400000-ff976537d2bde38a9a29
Source of Spectrum Y-22-1192-5
Wiley ID 1391954