Systematic / IUPAC Name: 5-Phenyl-3-(1-pyrrolidinyl)-1,2-thiazole-4-carbonitrile
ID: Reference7112
Other Names: 4-Isothiazolecarbonitrile, 5-phenyl-3-(1-pyrrolidinyl)-
Formula: C14H13N3S
5-Phenyl-3-tetrahydro-1H-pyrrol-1-ylisothiazole-4-carbonitrile 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 | 11/30/2017 12:04:38 PM |
InChI | InChI=1S/C14H13N3S/c15-10-12-13(11-6-2-1-3-7-11)18-16-14(12)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2 |
InChI Key | LACGKDYFHSVEQJ-UHFFFAOYSA-N |
Canonical SMILES | C1CCN(C1)C2=NSC(=C2C#N)C3=CC=CC=C3 |
CAS | |
Splash | |
Other Names | 4-Isothiazolecarbonitrile, 5-phenyl-3-(1-pyrrolidinyl)- |
ChemSpider | 2021701 |
ChEMBL | CHEMBL1410151 |
PubChem | 2740105 |