54118-06-8
3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-(3-METHYL-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDENE)-3-CYCLOHEXENE-1-CARBOXAMIDE
Name3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-(3-METHYL-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDENE)-3-CYCLOHEXENE-1-CARBOXAMIDE
pro_formulaC27 H26 N4 O2 S
1Identification
【Name】
3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-(3-METHYL-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDENE)-3-CYCLOHEXENE-1-CARBOXAMIDE
【CAS】
【MDL】
MFCD07433752
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H26 N4 O2 S
【pro_molWeight】
470.594
【Inchi】
InChI=1S/C27H26N4O2S/c1-3-30-22-11-7-8-12-23(22)34-24(30)15-18-13-19(16-20(14-18)26(28)32)25-17(2)29-31(27(25)33)21-9-5-4-6-10-21/h4-13,15,20H,3,14,16H2,1-2H3,(H2,28,32)/b24-15-,25-19+
【InChIKey】
InChIKey=GUIIERPBEPOMTB-FZUHJVGJSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C\C3=C/C(=C\4/C(=NN(C4=O)c5ccccc5)C)/CC(C3)C(=O)N
【MOL File】
3-([3-ETHYL-1,3-BENZ….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-(3-METHYL-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDENE)-3-CYCLOHEXENE-1-CARBOXAMIDE.cml