769146-36-3
4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
Name4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
1Identification
【Name】
4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD05721104
【English Synonyms】
【Formula】
C22 H19 N3 O2 S
【MolWeight】
389.477
【Inchi】
InChI=1S/C22H19N3O2S/c1-16-7-5-6-10-20(16)21(26)27-19-13-11-17(12-14-19)15-23-25-22(28)24-18-8-3-2-4-9-18/h2-15H,1H3,(H2,24,25,28)/b23-15+
【InChIKey】
InChIKey=FCAUVWIEGDUULP-HZHRSRAPSA-N
【SMILES】
Cc1ccccc1C(=O)Oc2ccc(cc2)/C=N/NC(=S)Nc3ccccc3
【MOL File】
4-(2-(ANILINOCARBOTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE.cml