Systematic / IUPAC Name: {(2Z)-3-Phenyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-2-propen-1-ylidene}malononitrile
ID: Reference4686
Other Names: Propanedinitrile, 2-{(2Z)-3-phenyl-3-[(1-phenyl-1H-tetrazol-5-yl)thio]-2-propen-1-ylidene}-
Formula: C19H12N6S
2-{3-Phenyl-3-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)thio]prop-2-enylidene}malononitrile 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 | 4/27/2016 10:44:33 AM |
InChI | InChI=1S/C19H12N6S/c20-13-15(14-21)11-12-18(16-7-3-1-4-8-16)26-19-22-23-24-25(19)17-9-5-2-6-10-17/h1-12H/b18-12- |
InChI Key | HDLNIBLFVGVGTD-PDGQHHTCSA-N |
Canonical SMILES | C1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=NN=NN2C3=CC=CC=C3 |
CAS | |
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Other Names | Propanedinitrile, 2-{(2Z)-3-phenyl-3-[(1-phenyl-1H-tetrazol-5-yl)thio]-2-propen-1-ylidene}- |