587012-11-1
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE
Name2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE
FormulaC18 H17 Cl N4 O2 S2
1Identification
【Name】
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04033389
【English Synonyms】
【Formula】
C18 H17 Cl N4 O2 S2
【MolWeight】
420.943
【Inchi】
InChI=1S/C18H17ClN4O2S2/c1-3-8-23-17(15-5-4-9-26-15)21-22-18(23)27-11-16(24)20-12-6-7-14(25-2)13(19)10-12/h3-7,9-10H,1,8,11H2,2H3,(H,20,24)
【InChIKey】
InChIKey=QRDSXARFWNRPKI-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1Cl)NC(=O)CSc2nnc(n2CC=C)c3cccs3
【MOL File】
2-[[4-ALLYL-5-(2-THI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE.cml