538337-34-7
2-([4-ALLYL-5-[(3-CHLOROANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE
Name
2-([4-ALLYL-5-[(3-CHLOROANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE
Formula
C21 H22 Cl N5 O S
MolWeight
427.958
1Identification
【Name】
2-([4-ALLYL-5-[(3-CHLOROANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154837
【English Synonyms】
【Formula】
C21 H22 Cl N5 O S
【MolWeight】
427.958
【Inchi】
InChI=1S/C21H22ClN5OS/c1-3-11-27-19(13-23-18-6-4-5-16(22)12-18)25-26-21(27)29-14-20(28)24-17-9-7-15(2)8-10-17/h3-10,12,23H,1,11,13-14H2,2H3,(H,24,28)
【InChIKey】
InChIKey=OPAQEEAUCDROAB-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)CNc3cccc(c3)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([4-ALLYL-5-[(3-CHLOROANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)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:L442917-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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