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2-[[4-(carboxymethylsulfanyl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetic acid
SpectraBase Compound ID ADf74X1I7vr
InChI InChI=1S/C19H16N4O4S2/c24-15(25)11-28-18-20-17(21-19(22-18)29-12-16(26)27)23(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,24,25)(H,26,27)
InChIKey ZTKGGLLOFTXJHK-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C19H16N4O4S2
Exact Mass 428.061297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9sYJDWGz9S
Name 2-[[4-(carboxymethylsulfanyl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetic acid
Alternate Name(s) 2-[[4-(carboxymethylthio)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]thio]acetic acid 2-[[4-(carboxymethylthio)-6-(N-phenylanilino)-s-triazin-2-yl]thio]acetic acid
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Formula C19H16N4O4S2
InChI InChI=1S/C19H16N4O4S2/c24-15(25)11-28-18-20-17(21-19(22-18)29-12-16(26)27)23(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,24,25)(H,26,27)
InChIKey ZTKGGLLOFTXJHK-UHFFFAOYSA-N
Molecular Weight 428.481 g/mol
SMILES OC(CSc1nc(SCC(=O)O)nc(n1)N(c1ccccc1)c1ccccc1)=O
SPLASH splash10-004i-6690000000-140cd2e9f494a7d89c6a
Wiley ID 1455102