Systematic / IUPAC Name: 4-(1,3-Dithian-2-ylidene)-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
ID: Reference4549
Other Names: 3H-Pyrazol-3-one, 4-(1,3-dithian-2-ylidene)-2,4-dihydro-5-methyl-2-(4-methylphenyl)-
Formula: C15H16N2OS2
4-(1,3-Dithian-2-yliden)-3-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one 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 | 4/14/2016 7:51:52 AM |
InChI | InChI=1S/C15H16N2OS2/c1-10-4-6-12(7-5-10)17-14(18)13(11(2)16-17)15-19-8-3-9-20-15/h4-7H,3,8-9H2,1-2H3 |
InChI Key | WJAGUYHXFJSWIP-UHFFFAOYSA-N |
Canonical SMILES | CC1=CC=C(C=C1)N2C(=O)C(=C3SCCCS3)C(=N2)C |
CAS | |
Splash | |
Other Names | 3H-Pyrazol-3-one, 4-(1,3-dithian-2-ylidene)-2,4-dihydro-5-methyl-2-(4-methylphenyl)- |