578003-91-5
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-METHOXYPHENYL)ACETAMIDE
Name2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-METHOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04023701
【English Synonyms】
【Formula】
C19 H19 N5 O2 S
【MolWeight】
381.458
【Inchi】
InChI=1S/C19H19N5O2S/c1-3-12-24-18(15-9-6-7-11-20-15)22-23-19(24)27-13-17(25)21-14-8-4-5-10-16(14)26-2/h3-11H,1,12-13H2,2H3,(H,21,25)
【InChIKey】
InChIKey=ZZIMZSHPRHYZTB-UHFFFAOYSA-N
【SMILES】
COc1ccccc1NC(=O)CSc2nnc(n2CC=C)c3ccccn3
【MOL File】
2-[[4-ALLYL-5-(2-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-METHOXYPHENYL)ACETAMIDE.cml