2-{3-Phenyl-3-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)thio]prop-2-enylidene}malononitrile

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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

Spectral Data

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.

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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 4/27/2016 10:44:33 AM
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Identificators

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}-

In Other Databases

ChemSpider 4895720
PubChem 6364829