Systematic / IUPAC Name: [4-(3,4-Dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]acetonitrile
ID: Reference4001
Other Names: 1H-1,2,4-Triazole-3-acetonitrile, 4-(3,4-dichlorophenyl)-4,5-dihydro-5-thioxo-
Formula: C10H6Cl2N4S
2-[4-(3,4-Dichlorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]acetonitrile 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 | 2/29/2016 8:18:36 AM |
InChI | InChI=1S/C10H6Cl2N4S/c11-7-2-1-6(5-8(7)12)16-9(3-4-13)14-15-10(16)17/h1-2,5H,3H2,(H,15,17) |
InChI Key | YWLJWSBPAVYSOB-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=C(C=C1N2C(=NNC2=S)CC#N)Cl)Cl |
CAS | |
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Other Names | 1H-1,2,4-Triazole-3-acetonitrile, 4-(3,4-dichlorophenyl)-4,5-dihydro-5-thioxo- |