2-[(5-{[(1-Naphthylmethyl)thio]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-3-nitropyridine

enlarge

Systematic / IUPAC Name: 2-[(5-{[(1-Naphthylmethyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitropyridine

ID: Reference6089

Other Names: Pyridine, 2-[(5-{[(1-naphthalenylmethyl)thio]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-3-nitro-

Formula: C25H19N5O2S2

Spectral Data

2-[(5-{[(1-Naphthylmethyl)thio]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-3-nitropyridine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 11/25/2016 6:39:09 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H19N5O2S2/c31-30(32)22-14-7-15-26-24(22)34-25-28-27-23(29(25)20-11-2-1-3-12-20)17-33-16-19-10-6-9-18-8-4-5-13-21(18)19/h1-15H,16-17H2
InChI Key MEKLFALEPGYITD-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])CSCC4=CC=CC5=CC=CC=C54
CAS
Splash
Other Names Pyridine, 2-[(5-{[(1-naphthalenylmethyl)thio]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-3-nitro-

In Other Databases

PubChem 2728176
ChemSpider 2010174