117509-71-4
3-PYRIDINECARBONITRILE, 1,4-DIHYDRO-5-ACETYL-6-METHYL-2-(METHYLTHIO)-4-PHENYL-
Name3-PYRIDINECARBONITRILE, 1,4-DIHYDRO-5-ACETYL-6-METHYL-2-(METHYLTHIO)-4-PHENYL-
pro_formulaC16 H16 N2 O S
1Identification
【Name】
3-PYRIDINECARBONITRILE, 1,4-DIHYDRO-5-ACETYL-6-METHYL-2-(METHYLTHIO)-4-PHENYL-
【CAS】
【MDL】
MFCD00589166
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H16 N2 O S
【pro_molWeight】
284.381
【Inchi】
InChI=1S/C16H16N2OS/c1-10-14(11(2)19)15(12-7-5-4-6-8-12)13(9-17)16(18-10)20-3/h4-8,15,18H,1-3H3
【InChIKey】
InChIKey=JFSDHMISHAZGDL-UHFFFAOYSA-N
【SMILES】
CC1=C(C(C(=C(N1)SC)C#N)c2ccccc2)C(=O)C
【MOL File】
3-PYRIDINECARBONITRI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-PYRIDINECARBONITRILE, 1,4-DIHYDRO-5-ACETYL-6-METHYL-2-(METHYLTHIO)-4-PHENYL-.cml