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Benzoic acid, 4,5-dimethoxy-2-[[2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID AYTvCWDAug1
InChI InChI=1S/C21H22N4O5S2/c1-5-8-25-19(17-7-6-9-31-17)23-24-21(25)32-12-18(26)22-14-11-16(29-3)15(28-2)10-13(14)20(27)30-4/h5-7,9-11H,1,8,12H2,2-4H3,(H,22,26)
InChIKey XSOPZXAZDNWCOS-UHFFFAOYSA-N
Mol Weight 474.55 g/mol
Molecular Formula C21H22N4O5S2
Exact Mass 474.103162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eLXyxwJ2O
Name Benzoic acid, 4,5-dimethoxy-2-[[2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
Alternate Name(s) 4,5-Dimethoxy-2-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester Methyl 4,5-dimethoxy-2-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Methyl 2-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoate Methyl 4,5-dimethoxy-2-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate
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Formula C21H22N4O5S2
InChI InChI=1S/C21H22N4O5S2/c1-5-8-25-19(17-7-6-9-31-17)23-24-21(25)32-12-18(26)22-14-11-16(29-3)15(28-2)10-13(14)20(27)30-4/h5-7,9-11H,1,8,12H2,2-4H3,(H,22,26)
InChIKey XSOPZXAZDNWCOS-UHFFFAOYSA-N
Molecular Weight 474.550 g/mol
SMILES N(C(CSc1[n](CC=C)c(nn1)-c1cccs1)=O)c1c(cc(c(c1)OC)OC)C(=O)OC
SPLASH splash10-03dl-7790000000-b960ff3e56dc05c5dfc6
Source of Spectrum IY-1-4692-9
Wiley ID 1654912