N-(1-Benzothiophen-3-yl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea

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Systematic / IUPAC Name: 1-(1-Benzothiophen-3-yl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea

ID: Reference6475

Other Names: Urea, N-benzo[b]thien-3-yl-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-

Formula: C16H18N4OS

Spectral Data

N-(1-Benzothiophen-3-yl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2017 11:44:34 AM
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Identificators

InChI InChI=1S/C16H18N4OS/c1-10-13(11(2)20(3)19-10)8-17-16(21)18-14-9-22-15-7-5-4-6-12(14)15/h4-7,9H,8H2,1-3H3,(H2,17,18,21)
InChI Key WFZPGUUTCBHGNJ-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NN1C)C)CNC(=O)NC2=CSC3=CC=CC=C32
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Other Names Urea, N-benzo[b]thien-3-yl-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-

In Other Databases

PubChem 2816301
ChemSpider 2094641