2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE - CAS 339009-39-1
Category:
Main Product
Product Name:
2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE
Catalog Number:
339009-39-1
Synonyms:
2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE
CAS Number:
339009-39-1
Molecular Weight:
0
Molecular Formula:
C4H6N4S
COA:
Inquire
MSDS:
Inquire
Canonical SMILES:
C1=NN(C=N1)CC(=S)N
InChI:
InChI=1S/C4H6N4S/c5-4(9)1-8-3-6-2-7-8/h2-3H,1H2,(H2,5,9)
InChIKey:
WNKQHNJCTOJEKP-UHFFFAOYSA-N
Chemical Structure
CAS 339009-39-1 2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE

Reference Reading


1.2-Benzoyl-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide and 2-(4-methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide.
Jian FF1, Xiao HL, Qin YQ, Xu LZ. Acta Crystallogr C. 2004 Jul;60(Pt 7):o492-3. Epub 2004 Jun 22.
In the two title compounds, C17H14N4OS, (I), and C18H16N4O2S, (II), the dihedral angles between the planes of the triazole and N-phenyl rings and the plane of five of the atoms that link these two rings are 63.5 (8) and 73.2 (6) degrees for (I), and 65.1 (1) and 72.1 (3) degrees for (II), respectively. There are some inter- and intramolecular interactions in the crystal structure.