769153-91-5
1-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
Name1-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
FormulaC26 H20 Cl N3 O2 S
1Identification
【Name】
1-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153369
【English Synonyms】
【Formula】
C26 H20 Cl N3 O2 S
【MolWeight】
473.982
【Inchi】
InChI=1S/C26H20ClN3O2S/c1-17-9-11-19(12-10-17)25(31)32-24-14-13-18-5-2-3-8-22(18)23(24)16-28-30-26(33)29-21-7-4-6-20(27)15-21/h2-16H,1H3,(H2,29,30,33)/b28-16+
【InChIKey】
InChIKey=XVQBYFCEGRYMNL-LQKURTRISA-N
【SMILES】
Cc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc4cccc(c4)Cl
【MOL File】
1-(2-((3-CHLOROANILI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE.cml