866010-95-9
ETHYL 2-([3-(BENZOYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
Name
ETHYL 2-([3-(BENZOYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
pro_formula
C13 H14 N4 O3 S
pro_molWeight
306.345
1Identification
【Name】
ETHYL 2-([3-(BENZOYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
【CAS】
【MDL】
MFCD05670451
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H14 N4 O3 S
【pro_molWeight】
306.345
【Inchi】
InChI=1S/C13H14N4O3S/c1-2-20-10(18)8-21-13-15-12(16-17-13)14-11(19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,15,16,17,19)
【InChIKey】
InChIKey=YFOBXIFGQIGNEC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CSc1[nH]nc(n1)NC(=O)c2ccccc2
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 2-([3-(BENZOYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE.cml
quick_release
3-METHYLTHIO-4H-1,2,4-TRIAZOLE
7411-18-9
2-(METHYLSULFANYL)-1H-IMIDAZOLE
2-(METHYLTHIO)THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
108831-66-9 ;309976-36-1
2-(METHYLTHIO)-6-OXO-1,6-DIHYDRO-5-PYRIMIDINECARBOXYLIC ACID
397308-78-0
1H-BENZIMIDAZOLE, 2-(1,2-PROPADIENYLTHIO)-
170942-54-8
1H-PURIN-6-AMINE, 2-(METHYLTHIO)
1198-83-0
SuppliersList
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