4-Amino-2-{[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile
4-Amino-2-{[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile Structure
Systematic / IUPAC Name: 4-Amino-2-{[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile
ID: Reference5670
Other Names:
4-Amino-2-{[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}pyrimidine-5-carbonitrile ;
4-Amino-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pyrimidine-5-carbonitrile;
5-Pyrimidinecarbonitrile, 4-amino-2-{[5-(2-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-
Formula: C17H11N7OS
Spectral Data
4-Amino-2-{[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| 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 | 9/21/2016 12:38:03 PM |
Identificators
| InChI | InChI=1S/C17H11N7OS/c18-9-11-10-20-16(21-14(11)19)26-17-23-22-15(13-7-4-8-25-13)24(17)12-5-2-1-3-6-12/h1-8,10H,(H2,19,20,21) |
| InChI Key | JHSFWEKDQXIYBU-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C(=N3)N)C#N)C4=CC=CO4 |
| CAS | |
| Splash | |
| Other Names |
4-Amino-2-{[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}pyrimidine-5-carbonitrile ; 4-Amino-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pyrimidine-5-carbonitrile; 5-Pyrimidinecarbonitrile, 4-amino-2-{[5-(2-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}- |