767310-28-1
2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
Name2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
1Identification
【Name】
2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD06199754
【English Synonyms】
【Formula】
C24 H23 N3 O3 S
【MolWeight】
433.53
【Inchi】
InChI=1S/C24H23N3O3S/c1-16-7-10-19(11-8-16)23(28)30-21-12-9-18(14-22(21)29-3)15-25-27-24(31)26-20-6-4-5-17(2)13-20/h4-15H,1-3H3,(H2,26,27,31)/b25-15+
【InChIKey】
InChIKey=WZCAEDQVOKKKOX-MFKUBSTISA-N
【SMILES】
Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)/C=N/NC(=S)Nc3cccc(c3)C
【MOL File】
2-METHOXY-4-(2-(3-TO….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
2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE.cml