12-(Benzylthio)phenanthro[9,10-e][1,2,4]triazolo[4,3-b][1,2,4]triazine

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Systematic / IUPAC Name: 12-(Benzylsulfanyl)phenanthro[9,10-E][1,2,4]triazolo[4,3-b][1,2,4]triazine

ID: Reference3725

Other Names: Phenanthro[9,10-E][1,2,4]triazolo[4,3-b][1,2,4]triazine, 12-[(phenylmethyl)thio]-

Formula: C23H15N5S

Spectral Data

12-(Benzylthio)phenanthro[9,10-e][1,2,4]triazolo[4,3-b][1,2,4]triazine 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 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/5/2016 12:00:45 PM
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Identificators

InChI InChI=1S/C23H15N5S/c1-2-8-15(9-3-1)14-29-23-26-25-22-24-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)27-28(22)23/h1-13H,14H2
InChI Key XXCHDSRRVGDRAG-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CSC2=NN=C3N2N=C4C5=CC=CC=C5C6=CC=CC=C6C4=N3
CAS
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Other Names Phenanthro[9,10-E][1,2,4]triazolo[4,3-b][1,2,4]triazine, 12-[(phenylmethyl)thio]-

In Other Databases

PubChem 2825636
ChemSpider 2103767