477313-77-2
N-(4-CHLORO-2-METHYLPHENYL)-2-([5-[(4-METHOXYBENZYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL]SULFANYL)ACETAMIDE
NameN-(4-CHLORO-2-METHYLPHENYL)-2-([5-[(4-METHOXYBENZYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL]SULFANYL)ACETAMIDE
FormulaC19 H18 Cl N3 O2 S3
1Identification
【Name】
N-(4-CHLORO-2-METHYLPHENYL)-2-([5-[(4-METHOXYBENZYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL]SULFANYL)ACETAMIDE
【CAS】
【MDL】
MFCD03474193
【English Synonyms】
【Formula】
C19 H18 Cl N3 O2 S3
【MolWeight】
452.021
【Inchi】
InChI=1S/C19H18ClN3O2S3/c1-12-9-14(20)5-8-16(12)21-17(24)11-27-19-23-22-18(28-19)26-10-13-3-6-15(25-2)7-4-13/h3-9H,10-11H2,1-2H3,(H,21,24)
【InChIKey】
InChIKey=XGDWLQNQOFUUEZ-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1NC(=O)CSc2nnc(s2)SCc3ccc(cc3)OC)Cl
【MOL File】
N-(4-CHLORO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-CHLORO-2-METHYLPHENYL)-2-([5-[(4-METHOXYBENZYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL]SULFANYL)ACETAMIDE.cml