796067-45-3
5-CYANO-4-MERCAPTO-2-METHYL-N-PHENYL-3-AZASPIRO[5.5]UNDECA-1,4-DIENE-1-CARBOXAMIDE
Name5-CYANO-4-MERCAPTO-2-METHYL-N-PHENYL-3-AZASPIRO[5.5]UNDECA-1,4-DIENE-1-CARBOXAMIDE
1Identification
【Name】
5-CYANO-4-MERCAPTO-2-METHYL-N-PHENYL-3-AZASPIRO[5.5]UNDECA-1,4-DIENE-1-CARBOXAMIDE
【CAS】
【MDL】
MFCD06370766
【English Synonyms】
【Formula】
C19 H21 N3 O S
【MolWeight】
339.461
【Inchi】
InChI=1S/C19H21N3OS/c1-13-16(17(23)22-14-8-4-2-5-9-14)19(10-6-3-7-11-19)15(12-20)18(24)21-13/h2,4-5,8-9,21,24H,3,6-7,10-11H2,1H3,(H,22,23)
【InChIKey】
InChIKey=JUTVYLYWKQBDJI-UHFFFAOYSA-N
【SMILES】
CC1=C(C2(CCCCC2)C(=C(N1)S)C#N)C(=O)Nc3ccccc3
【MOL File】
5-CYANO-4-MERCAPTO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CYANO-4-MERCAPTO-2-METHYL-N-PHENYL-3-AZASPIRO[5.5]UNDECA-1,4-DIENE-1-CARBOXAMIDE.cml