573938-10-0
2-((4-AMINO-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-MEO-PH)ACETAMIDE
Name2-((4-AMINO-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-MEO-PH)ACETAMIDE
1Identification
【Name】
2-((4-AMINO-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-MEO-PH)ACETAMIDE
【CAS】
【MDL】
MFCD03610094
【English Synonyms】
【Formula】
C16 H16 N6 O2 S
【MolWeight】
356.408
【Inchi】
InChI=1S/C16H16N6O2S/c1-24-13-4-2-12(3-5-13)19-14(23)10-25-16-21-20-15(22(16)17)11-6-8-18-9-7-11/h2-9H,10,17H2,1H3,(H,19,23)
【InChIKey】
InChIKey=AACDBJGJUSNEHN-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)NC(=O)CSc2nnc(n2N)c3ccncc3
【MOL File】
2-((4-AMINO-5-(4-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-AMINO-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-MEO-PH)ACETAMIDE.cml