Systematic / IUPAC Name: 1-{4-[(4-Chlorophenyl)sulfonyl]-3-methyl-2-thienyl}-3-(3-methyl-1,2-oxazol-5-yl)urea
ID: Reference6757
Other Names:
1-[4-(4-Chlorophenyl)sulfonyl-3-methylthiophen-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea;
Urea, N-{4-[(4-chlorophenyl)sulfonyl]-3-methyl-2-thienyl}-N'-(3-methyl-5-isoxazolyl)-
Formula: C16H14ClN3O4S2
N-{4-[(4-Chlorophenyl)sulfonyl]-3-methyl-2-thienyl}-N'-(3-methylisoxazol-5-yl)urea 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 | 70 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 8/28/2017 8:52:04 AM |
InChI | InChI=1S/C16H14ClN3O4S2/c1-9-7-14(24-20-9)18-16(21)19-15-10(2)13(8-25-15)26(22,23)12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H2,18,19,21) |
InChI Key | ZKAGHIFMTVPFBZ-UHFFFAOYSA-N |
Canonical SMILES | CC1=NOC(=C1)NC(=O)NC2=C(C(=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl)C |
CAS | |
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Other Names |
1-[4-(4-Chlorophenyl)sulfonyl-3-methylthiophen-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea; Urea, N-{4-[(4-chlorophenyl)sulfonyl]-3-methyl-2-thienyl}-N'-(3-methyl-5-isoxazolyl)- |