866010-95-9
ETHYL 2-([3-(BENZOYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
NameETHYL 2-([3-(BENZOYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
1Identification
【Name】
ETHYL 2-([3-(BENZOYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
【CAS】
【MDL】
MFCD05670451
【English Synonyms】
【Formula】
C13 H14 N4 O3 S
【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】
ETHYL 2-([3-(BENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-([3-(BENZOYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE.cml