769151-43-1
2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC22 H18 Cl N3 O2 S
1Identification
【Name】
2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153678
【English Synonyms】
【Formula】
C22 H18 Cl N3 O2 S
【MolWeight】
423.922
【Inchi】
InChI=1S/C22H18ClN3O2S/c1-15-5-4-7-19(13-15)25-22(29)26-24-14-17-6-2-3-8-20(17)28-21(27)16-9-11-18(23)12-10-16/h2-14H,1H3,(H2,25,26,29)/b24-14+
【InChIKey】
InChIKey=ZMEULHRBOWKTGX-ZVHZXABRSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2ccccc2OC(=O)c3ccc(cc3)Cl
【MOL File】
2-(2-(3-TOLUIDINOCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml