N-Benzoyl-N'-(1H-1,2,4-triazol-3-yl)thiourea

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Systematic / IUPAC Name: N-(1H-1,2,4-Triazol-5-ylcarbamothioyl)benzamide

ID: Reference4359

Other Names: N-Benzoyl-N'-(1H-1,2,4-triazol-3-yl)thiourea ;
Benzamide, N-[thioxo(1H-1,2,4-triazol-5-ylamino)methyl]-

Formula: C10H9N5OS

Spectral Data

N-Benzoyl-N'-(1H-1,2,4-triazol-3-yl)thiourea 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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/24/2016 10:14:45 AM
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Identificators

InChI InChI=1S/C10H9N5OS/c16-8(7-4-2-1-3-5-7)13-10(17)14-9-11-6-12-15-9/h1-6H,(H3,11,12,13,14,15,16,17)
InChI Key ISJKWWWRJNONKI-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=NN2
CAS
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Other Names N-Benzoyl-N'-(1H-1,2,4-triazol-3-yl)thiourea ;
Benzamide, N-[thioxo(1H-1,2,4-triazol-5-ylamino)methyl]-

In Other Databases

PubChem 2806529
ChemSpider 2085030
ChEMBL CHEMBL2063616