538336-34-4
2-((4-(FORMYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-PHENOXYPHENYL)ACETAMIDE
Name2-((4-(FORMYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-PHENOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-(FORMYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-PHENOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460894
【English Synonyms】
【Formula】
C17 H15 N5 O3 S
【MolWeight】
369.404
【Inchi】
InChI=1S/C17H15N5O3S/c23-12-19-22-11-18-21-17(22)26-10-16(24)20-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,19,23)(H,20,24)
【InChIKey】
InChIKey=ZCTMGYAGAPFBCC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3nncn3NC=O
【MOL File】
2-((4-(FORMYLAMINO)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-(FORMYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-PHENOXYPHENYL)ACETAMIDE.cml