586994-47-0
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE
Name
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE
Formula
C19 H17 N5 O3 S
MolWeight
395.441
1Identification
【Name】
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE
【CAS】
【MDL】
MFCD04033042
【English Synonyms】
【Formula】
C19 H17 N5 O3 S
【MolWeight】
395.441
【Inchi】
InChI=1S/C19H17N5O3S/c1-2-9-24-18(14-5-3-4-8-20-14)22-23-19(24)28-11-17(25)21-13-6-7-15-16(10-13)27-12-26-15/h2-8,10H,1,9,11-12H2,(H,21,25)
【InChIKey】
InChIKey=FYUNHCKFFVGFRZ-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1SCC(=O)Nc2ccc3c(c2)OCO3)c4ccccn4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
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-(1,3-BENZODIOXOL-5-YL)ACETAMIDE.cml
Quick Release
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Sigma-Aldrich Corporation
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Country/Region:United States
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Catalog No:L414867-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 586994-47-0 Suppliers>>