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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-, methyl 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-, methyl ester
SpectraBase Compound ID AzKgEPwFDdE
InChI InChI=1S/C27H23N5O2S/c1-18-13-15-20(16-14-18)32-25(30-31-27(32)35-3)21-11-7-8-12-23(21)29-24(19-9-5-4-6-10-19)22(17-28)26(33)34-2/h4-16,29H,1-3H3/b24-22-
InChIKey YDOMYZITCNVSQH-GYHWCHFESA-N
Mol Weight 481.57 g/mol
Molecular Formula C27H23N5O2S
Exact Mass 481.157246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZrGybams69
Name 2-Propenoic acid, 2-cyano-3-[[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]amino]-3-phenyl-, methyl ester
Alternate Name(s) 5-((2-(2-cyano-2-methoxycarbonyl-1-phenyl-ethenyl)-amino)-phenyl)-3-methylthio-4-(4-methylphenyl)-1,2,4-triazole Methyl (2Z)-2-cyano-3-{2-[4-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]anilino}-3-phenyl-2-propenoate
CAS Registry Number 104573-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N5O2S
InChI InChI=1S/C27H23N5O2S/c1-18-13-15-20(16-14-18)32-25(30-31-27(32)35-3)21-11-7-8-12-23(21)29-24(19-9-5-4-6-10-19)22(17-28)26(33)34-2/h4-16,29H,1-3H3/b24-22-
InChIKey YDOMYZITCNVSQH-GYHWCHFESA-N
Molecular Weight 481.574 g/mol
SMILES N(\C(=C/(C(=O)OC)C#N)c1ccccc1)c1c(-c2[n](c(SC)nn2)-c2ccc(cc2)C)cccc1
SPLASH splash10-001i-2359500000-1c1f93dac870e95269ab
Source of Spectrum Y-22-1192-5
Wiley ID 1395407