Systematic / IUPAC Name: 1-(2,5-Dithia-7-azabicyclo[2.2.1]hept-7-yl)-3-[2-(2-pyridinyl)ethyl]thiourea
ID: Reference6754
Other Names:
1-(2,5-Dithia-7-aza-bicyclo[2.2.1]hept-7-yl)-3-(2-pyridin-2-yl-ethyl)-thiourea;
1-(2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-yl)-3-(2-pyridin-2-ylethyl)thiourea;
Thiourea, N-2,5-dithia-7-azabicyclo[2.2.1]hept-7-yl-N'-[2-(2-pyridinyl)ethyl]-
Formula: C12H16N4S3
N-(2,5-Dithia-7-azabicyclo[2.2.1]hept-7-yl)-N'-(2-pyridin-2-ylethyl)thiourea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 8/28/2017 8:38:48 AM |
InChI | InChI=1S/C12H16N4S3/c17-12(14-6-4-9-3-1-2-5-13-9)15-16-10-7-18-11(16)8-19-10/h1-3,5,10-11H,4,6-8H2,(H2,14,15,17) |
InChI Key | XPXDSENBLIPMNM-UHFFFAOYSA-N |
Canonical SMILES | C1C2N(C(S1)CS2)NC(=S)NCCC3=CC=CC=N3 |
CAS | |
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Other Names |
1-(2,5-Dithia-7-aza-bicyclo[2.2.1]hept-7-yl)-3-(2-pyridin-2-yl-ethyl)-thiourea; 1-(2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-yl)-3-(2-pyridin-2-ylethyl)thiourea; Thiourea, N-2,5-dithia-7-azabicyclo[2.2.1]hept-7-yl-N'-[2-(2-pyridinyl)ethyl]- |