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2-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-[4-(1-hydroxyimino-ethyl)phenyl]acetamide
SpectraBase Compound ID BkNu2PW1CL8
InChI InChI=1S/C21H21N5O2S/c1-3-13-26-20(17-7-5-4-6-8-17)23-24-21(26)29-14-19(27)22-18-11-9-16(10-12-18)15(2)25-28/h3-12,28H,1,13-14H2,2H3,(H,22,27)/b25-15+
InChIKey UJGBQBAIGBAQGM-MFKUBSTISA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzS6u299PGS
Name 2-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-[4-(1-hydroxyimino-ethyl)phenyl]acetamide
Alternate Name(s) (E)-2-((4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(1-(hydroxyimino)ethyl)phenyl)acetamide N-[4-[(1E)-1-hydroxyiminoethyl]phenyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]phenyl]acetamide N-[4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]phenyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
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Formula C21H21N5O2S
InChI InChI=1S/C21H21N5O2S/c1-3-13-26-20(17-7-5-4-6-8-17)23-24-21(26)29-14-19(27)22-18-11-9-16(10-12-18)15(2)25-28/h3-12,28H,1,13-14H2,2H3,(H,22,27)/b25-15+
InChIKey UJGBQBAIGBAQGM-MFKUBSTISA-N
Molecular Weight 407.492 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1ccccc1)CC=C)=O)c1ccc(\C(=N\O)C)cc1
SPLASH splash10-0udi-0970000000-ea40a9a09672b402fc9f
Source of Spectrum EMC-71-194-7a
Wiley ID 1738931