519056-47-4
4-METHYL-5-[(3-PYRAZIN-2-YL-1,2,4-OXADIAZOL-5-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name
4-METHYL-5-[(3-PYRAZIN-2-YL-1,2,4-OXADIAZOL-5-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Formula
C10 H9 N7 O S
MolWeight
275.295
1Identification
【Name】
4-METHYL-5-[(3-PYRAZIN-2-YL-1,2,4-OXADIAZOL-5-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD00219823
【English Synonyms】
【Formula】
C10 H9 N7 O S
【MolWeight】
275.295
【Inchi】
InChI=1S/C10H9N7OS/c1-17-7(14-15-10(17)19)4-8-13-9(16-18-8)6-5-11-2-3-12-6/h2-3,5H,4H2,1H3,(H,15,19)
【InChIKey】
InChIKey=FLBYNUINSCARIO-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1S)Cc2nc(no2)c3cnccn3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-5-[(3-PYRAZIN-2-YL-1,2,4-OXADIAZOL-5-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml
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