727717-74-0
4-(4-ETHOXY-PHENYL)-5-(3-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Name4-(4-ETHOXY-PHENYL)-5-(3-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
1Identification
【Name】
4-(4-ETHOXY-PHENYL)-5-(3-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04619488
【English Synonyms】
【Formula】
C17 H17 N3 O2 S
【MolWeight】
327.406
【Inchi】
InChI=1S/C17H17N3O2S/c1-3-22-14-9-7-13(8-10-14)20-16(18-19-17(20)23)12-5-4-6-15(11-12)21-2/h4-11H,3H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=GGXNOFGWNJQQHF-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)n2c(nnc2S)c3cccc(c3)OC
【MOL File】
4-(4-ETHOXY-PHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-ETHOXY-PHENYL)-5-(3-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL.cml