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2-Thiophenecarboxylic acid, 3-[[2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID HlNvUDPudxH
InChI InChI=1S/C17H16N4O3S3/c1-3-7-21-15(12-5-4-8-25-12)19-20-17(21)27-10-13(22)18-11-6-9-26-14(11)16(23)24-2/h3-6,8-9H,1,7,10H2,2H3,(H,18,22)
InChIKey JWSZPOBZGZHNNB-UHFFFAOYSA-N
Mol Weight 420.52 g/mol
Molecular Formula C17H16N4O3S3
Exact Mass 420.038454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gY0VftI0zA
Name 2-Thiophenecarboxylic acid, 3-[[2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
Alternate Name(s) 3-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester Methyl 3-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Methyl 3-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate Methyl 3-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate
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Formula C17H16N4O3S3
InChI InChI=1S/C17H16N4O3S3/c1-3-7-21-15(12-5-4-8-25-12)19-20-17(21)27-10-13(22)18-11-6-9-26-14(11)16(23)24-2/h3-6,8-9H,1,7,10H2,2H3,(H,18,22)
InChIKey JWSZPOBZGZHNNB-UHFFFAOYSA-N
Molecular Weight 420.520 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1sccc1)CC=C)=O)c1ccsc1C(OC)=O
SPLASH splash10-03dl-4980000000-9b33e3999f5942ccb472
Source of Spectrum IY-1-4626-7
Wiley ID 1654250