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acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)thio]-
SpectraBase Compound ID FYcrbNcGZ16
InChI InChI=1S/C21H21N5O2S/c1-14-19(20(28)26(25(14)3)15-9-5-4-6-10-15)23-18(27)13-29-21-22-16-11-7-8-12-17(16)24(21)2/h4-12H,13H2,1-3H3,(H,23,27)
InChIKey SPQXCYCXKTYNFI-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EfpkRzBf4f
Name N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide
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Formula C21H21N5O2S
InChI InChI=1S/C21H21N5O2S/c1-14-19(20(28)26(25(14)3)15-9-5-4-6-10-15)23-18(27)13-29-21-22-16-11-7-8-12-17(16)24(21)2/h4-12H,13H2,1-3H3,(H,23,27)
InChIKey SPQXCYCXKTYNFI-UHFFFAOYSA-N
Molecular Weight 407.492 g/mol
SMILES N(C=1C(N(c2ccccc2)N(C1C)C)=O)C(=O)CSc1nc2ccccc2[n]1C
SPLASH splash10-0a4i-8940000000-fef60df286dfc843c0d2
Synonyms N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(1-methyl-2-benzimidazolyl)thio]acetamide N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(1-methylbenzimidazol-2-yl)thio]acetamide
Wiley ID 1463991