577762-32-4
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE
Name2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE
FormulaC19 H18 Cl N5 O2 S
1Identification
【Name】
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04018575
【English Synonyms】
【Formula】
C19 H18 Cl N5 O2 S
【MolWeight】
415.903
【Inchi】
InChI=1S/C19H18ClN5O2S/c1-3-10-25-18(15-6-4-5-9-21-15)23-24-19(25)28-12-17(26)22-13-7-8-16(27-2)14(20)11-13/h3-9,11H,1,10,12H2,2H3,(H,22,26)
【InChIKey】
InChIKey=BPFIQNDRDZSEQM-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1Cl)NC(=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
XLogP3:3.0
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-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE.cml