80464-05-7
N-(4-(DIMETHYLAMINO)PHENYL)-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE
NameN-(4-(DIMETHYLAMINO)PHENYL)-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE
pro_formulaC14 H20 N6 O S
1Identification
【Name】
N-(4-(DIMETHYLAMINO)PHENYL)-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE
【CAS】
【MDL】
MFCD01751516
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H20 N6 O S
【pro_molWeight】
320.419
【Inchi】
InChI=1S/C14H20N6OS/c1-19(2)12-8-6-11(7-9-12)15-13(21)5-4-10-22-14-16-17-18-20(14)3/h6-9H,4-5,10H2,1-3H3,(H,15,21)
【InChIKey】
InChIKey=WKLKPZAMTNLNQV-UHFFFAOYSA-N
【SMILES】
Cn1c(nnn1)SCCCC(=O)Nc2ccc(cc2)N(C)C
【MOL File】
N-(4-(DIMETHYLAMINO)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(4-(DIMETHYLAMINO)PHENYL)-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE.cml