133506-47-5
((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETIC ACID 2-(((4-CHLOROPHENYL)AMINO)CARBONYL)HYDRAZIDE
Name((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETIC ACID 2-(((4-CHLOROPHENYL)AMINO)CARBONYL)HYDRAZIDE
FormulaC16 H14 Cl N7 O2 S
1Identification
【Name】
((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETIC ACID 2-(((4-CHLOROPHENYL)AMINO)CARBONYL)HYDRAZIDE
【CAS】
【MDL】
MFCD01672754
【English Synonyms】
【Formula】
C16 H14 Cl N7 O2 S
【MolWeight】
403.853
【Inchi】
InChI=1S/C16H14ClN7O2S/c17-11-6-8-12(9-7-11)18-15(26)20-19-14(25)10-27-16-21-22-23-24(16)13-4-2-1-3-5-13/h1-9H,10H2,(H,19,25)(H2,18,20,26)
【InChIKey】
InChIKey=CFRBPEAWSAFZIN-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(nnn2)SCC(=O)NNC(=O)Nc3ccc(cc3)Cl
【MOL File】
((1-PHENYL-1H-TETRAZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETIC ACID 2-(((4-CHLOROPHENYL)AMINO)CARBONYL)HYDRAZIDE.cml