107951-97-3
5-[(4-METHOXYPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[(4-METHOXYPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[(4-METHOXYPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD01809838
【English Synonyms】
【Formula】
C16 H15 N3 O2 S
【MolWeight】
313.379
【Inchi】
InChI=1S/C16H15N3O2S/c1-20-13-7-9-14(10-8-13)21-11-15-17-18-16(22)19(15)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,22)
【InChIKey】
InChIKey=IPMIMUQYCSXGCJ-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)OCc2nnc(n2c3ccccc3)S
【MOL File】
5-[(4-METHOXYPHENOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-METHOXYPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml