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3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-6-methyl- 7-(2"-phenylhydrazono)-7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine

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3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-6-methyl- 7-(2"-phenylhydrazono)-7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine
SpectraBase Compound ID IAF0BRNfg3n
InChI InChI=1S/C28H20N8OS/c1-18-27(31-29-20-11-4-2-5-12-20)38-28-32-30-26(36(28)33-18)22-17-23(35(34-22)21-13-6-3-7-14-21)25-16-19-10-8-9-15-24(19)37-25/h2-17,29H,1H3/b31-27+
InChIKey MMMZERSBRAENLH-TVKQRKNISA-N
Mol Weight 516.58 g/mol
Molecular Formula C28H20N8OS
Exact Mass 516.148078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AL1PUwcUKeG
Name 3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-6-methyl- 7-(2"-phenylhydrazono)-7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine
Alternate Name(s) N-[(E)-[3-[5-(2-benzofuranyl)-1-phenyl-3-pyrazolyl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]aniline N-[(E)-[3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]aniline N-[(E)-[3-[5-(benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]aniline N-[(E)-[3-[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]aniline
Comments Less than 3 mono-isotopic peaks
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Formula C28H20N8OS
InChI InChI=1S/C28H20N8OS/c1-18-27(31-29-20-11-4-2-5-12-20)38-28-32-30-26(36(28)33-18)22-17-23(35(34-22)21-13-6-3-7-14-21)25-16-19-10-8-9-15-24(19)37-25/h2-17,29H,1H3/b31-27+
InChIKey MMMZERSBRAENLH-TVKQRKNISA-N
Molecular Weight 516.583 g/mol
SMILES N(\N=C/1C(=N[n]2c(-c3n[n](-c4ccccc4)c(c3)-c3oc4ccccc4c3)nnc2S1)C)c1ccccc1
SPLASH splash10-004i-9000010000-9a1d6c90f2ef75d66355
Source of Spectrum AH-140-604-12a
Wiley ID 1696163