2-[4-(3,4-Dichlorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]acetonitrile

enlarge

Systematic / IUPAC Name: [4-(3,4-Dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]acetonitrile

ID: Reference4001

Other Names: 1H-1,2,4-Triazole-3-acetonitrile, 4-(3,4-dichlorophenyl)-4,5-dihydro-5-thioxo-

Formula: C10H6Cl2N4S

Spectral Data

2-[4-(3,4-Dichlorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]acetonitrile 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 2/29/2016 8:18:36 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H6Cl2N4S/c11-7-2-1-6(5-8(7)12)16-9(3-4-13)14-15-10(16)17/h1-2,5H,3H2,(H,15,17)
InChI Key YWLJWSBPAVYSOB-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1N2C(=NNC2=S)CC#N)Cl)Cl
CAS
Splash
Other Names 1H-1,2,4-Triazole-3-acetonitrile, 4-(3,4-dichlorophenyl)-4,5-dihydro-5-thioxo-

In Other Databases

ChemSpider 2082293
PubChem 2803666