577698-26-1
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(DIMETHYLAMINO)PHENYL]ACETAMIDE
Name2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(DIMETHYLAMINO)PHENYL]ACETAMIDE
pro_formulaC19 H21 N5 O S2
1Identification
【Name】
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(DIMETHYLAMINO)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD04027763
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H21 N5 O S2
【pro_molWeight】
399.541
【Inchi】
InChI=1S/C19H21N5OS2/c1-4-11-24-18(16-6-5-12-26-16)21-22-19(24)27-13-17(25)20-14-7-9-15(10-8-14)23(2)3/h4-10,12H,1,11,13H2,2-3H3,(H,20,25)
【InChIKey】
InChIKey=GSCVTOUPEGJVMY-UHFFFAOYSA-N
【SMILES】
CN(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3cccs3
【MOL File】
2-[[4-ALLYL-5-(2-THI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(DIMETHYLAMINO)PHENYL]ACETAMIDE.cml