764656-95-3
1-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
Name1-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
1Identification
【Name】
1-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154570
【English Synonyms】
【Formula】
C26 H21 N3 O3 S
【MolWeight】
455.536
【Inchi】
InChI=1S/C26H21N3O3S/c1-31-21-14-11-19(12-15-21)25(30)32-24-16-13-18-7-5-6-10-22(18)23(24)17-27-29-26(33)28-20-8-3-2-4-9-20/h2-17H,1H3,(H2,28,29,33)/b27-17+
【InChIKey】
InChIKey=CTEZFGZXTLENOK-WPWMEQJKSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc4ccccc4
【MOL File】
1-(2-(ANILINOCARBOTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE.cml