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2-Butenoic acid, 3-amino-2-[2-[[5-[(4-nitrophenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]-, ethyl ester
SpectraBase Compound ID FVpnvx73oTG
InChI InChI=1S/C23H23N5O5S/c1-3-33-22(30)21(15(2)24)19(29)14-34-23-26-25-20(27(23)17-7-5-4-6-8-17)13-16-9-11-18(12-10-16)28(31)32/h4-12H,3,13-14,24H2,1-2H3/b21-15+
InChIKey PKTYXPGOHXWKAM-RCCKNPSSSA-N
Mol Weight 481.53 g/mol
Molecular Formula C23H23N5O5S
Exact Mass 481.14199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIdZIzYjpAH
Name 2-Butenoic acid, 3-amino-2-[2-[[5-[(4-nitrophenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]-, ethyl ester
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Formula C23H23N5O5S
InChI InChI=1S/C23H23N5O5S/c1-3-33-22(30)21(15(2)24)19(29)14-34-23-26-25-20(27(23)17-7-5-4-6-8-17)13-16-9-11-18(12-10-16)28(31)32/h4-12H,3,13-14,24H2,1-2H3/b21-15+
InChIKey PKTYXPGOHXWKAM-RCCKNPSSSA-N
Molecular Weight 481.527 g/mol
SMILES N\C(=C/(C(=O)CSc1nnc([n]1-c1ccccc1)Cc1ccc(cc1)N(=O)=O)C(OCC)=O)C
SPLASH splash10-0a4i-8911000000-7c49511a48d0626fb283
Source of Spectrum IY-1-4537-1
Synonyms (E)-3-amino-2-[2-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenoic acid ethyl ester Ethyl (E)-3-amino-2-[2-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enoate Ethyl (E)-3-azanyl-2-[2-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enoate
Wiley ID 1653354