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1H-1,2,3-benzotriazole-1-acetic acid, .alpha.-[(phenylamino)thioxomethyl]-, ethyl ester
SpectraBase Compound ID JvCkb63eBmN
InChI InChI=1S/C17H16N4O2S/c1-2-23-17(22)15(16(24)18-12-8-4-3-5-9-12)21-14-11-7-6-10-13(14)19-20-21/h3-11,15H,2H2,1H3,(H,18,24)
InChIKey RDMKPJLUPORCEZ-UHFFFAOYSA-N
Mol Weight 340.4 g/mol
Molecular Formula C17H16N4O2S
Exact Mass 340.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VGPBoNLmdM
Name 1H-1,2,3-benzotriazole-1-acetic acid, .alpha.-[(phenylamino)thioxomethyl]-, ethyl ester
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Formula C17H16N4O2S
InChI InChI=1S/C17H16N4O2S/c1-2-23-17(22)15(16(24)18-12-8-4-3-5-9-12)21-14-11-7-6-10-13(14)19-20-21/h3-11,15H,2H2,1H3,(H,18,24)
InChIKey RDMKPJLUPORCEZ-UHFFFAOYSA-N
Molecular Weight 340.401 g/mol
SMILES N(C(C(C(OCC)=O)[n]1nnc2ccccc12)=S)c1ccccc1
SPLASH splash10-0fb9-9500000000-a253e41e5be617b0dbb0
Source of Spectrum JX-2015-3-817
Synonyms Ethyl 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-(phenylamino)-3-thioxopropanoate Ethyl 2-(1H-benzotriazol-1-yl)-3-(phenylamino)-3-thioxopropanoate 3-Anilino-2-(1-benzotriazolyl)-3-sulfanylidenepropanoic acid ethyl ester Ethyl 3-anilino-2-(benzotriazol-1-yl)-3-sulfanylidenepropanoate Ethyl 3-anilino-2-(benzotriazol-1-yl)-3-thioxo-propanoate Ethyl 2-(benzotriazol-1-yl)-3-phenylazanyl-3-sulfanylidene-propanoate
Wiley ID 1724351