133506-48-6
((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETIC ACID 2-((PHENYLAMINO)THIOXOMETHYL)HYDRAZIDE
Name((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETIC ACID 2-((PHENYLAMINO)THIOXOMETHYL)HYDRAZIDE
pro_formulaC16 H15 N7 O S2
1Identification
【Name】
((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETIC ACID 2-((PHENYLAMINO)THIOXOMETHYL)HYDRAZIDE
【CAS】
【MDL】
MFCD01672756
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H15 N7 O S2
【pro_molWeight】
385.474
【Inchi】
InChI=1S/C16H15N7OS2/c24-14(18-19-15(25)17-12-7-3-1-4-8-12)11-26-16-20-21-22-23(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,24)(H2,17,19,25)
【InChIKey】
InChIKey=OHHPJYUCHORKST-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)NC(=S)NNC(=O)CSc2nnnn2c3ccccc3
【MOL File】
((1-PHENYL-1H-TETRAZ….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:8
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETIC ACID 2-((PHENYLAMINO)THIOXOMETHYL)HYDRAZIDE.cml