866010-92-6
ETHYL 2-((3-[(3-METHYLBENZOYL)AMINO]-1H-1,2,4-TRIAZOL-5-YL)SULFANYL)ACETATE
NameETHYL 2-((3-[(3-METHYLBENZOYL)AMINO]-1H-1,2,4-TRIAZOL-5-YL)SULFANYL)ACETATE
1Identification
【Name】
ETHYL 2-((3-[(3-METHYLBENZOYL)AMINO]-1H-1,2,4-TRIAZOL-5-YL)SULFANYL)ACETATE
【CAS】
【MDL】
MFCD05670448
【English Synonyms】
【Formula】
C14 H16 N4 O3 S
【MolWeight】
320.371
【Inchi】
InChI=1S/C14H16N4O3S/c1-3-21-11(19)8-22-14-16-13(17-18-14)15-12(20)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,20)
【InChIKey】
InChIKey=CSZFJKLNCKEZQL-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CSc1[nH]nc(n1)NC(=O)c2cccc(c2)C
【MOL File】
ETHYL 2-((3-[(3-METH….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-[(3-METHYLBENZOYL)AMINO]-1H-1,2,4-TRIAZOL-5-YL)SULFANYL)ACETATE.cml