764655-61-0
1-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
Name1-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
FormulaC21 H18 Cl N3 O2 S
1Identification
【Name】
1-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154642
【English Synonyms】
【Formula】
C21 H18 Cl N3 O2 S
【MolWeight】
411.911
【Inchi】
InChI=1S/C21H18ClN3O2S/c1-2-23-21(28)25-24-13-17-15-8-4-3-7-14(15)11-12-19(17)27-20(26)16-9-5-6-10-18(16)22/h3-13H,2H2,1H3,(H2,23,25,28)/b24-13+
【InChIKey】
InChIKey=JFJFNMUHEYGHAH-ZMOGYAJESA-N
【SMILES】
CCNC(=S)N/N=C/c1c2ccccc2ccc1OC(=O)c3ccccc3Cl
【MOL File】
1-(2-((ETHYLAMINO)CA….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
1-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE.cml