41215-90-1
ETHYL 2-[(4-CHLOROPHENYLCARBAMOYL)METHYLTHIO]-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
Name
ETHYL 2-[(4-CHLOROPHENYLCARBAMOYL)METHYLTHIO]-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
Formula
C18 H16 Cl N3 O3 S
MolWeight
389.861
1Identification
【Name】
ETHYL 2-[(4-CHLOROPHENYLCARBAMOYL)METHYLTHIO]-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD02946293
【English Synonyms】
【Formula】
C18 H16 Cl N3 O3 S
【MolWeight】
389.861
【Inchi】
InChI=1S/C18H16ClN3O3S/c1-2-25-18(24)22-15-6-4-3-5-14(15)21-17(22)26-11-16(23)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,23)
【InChIKey】
InChIKey=VBXBQTCRLGGIRW-UHFFFAOYSA-N
【SMILES】
CCOC(=O)n1c2ccccc2nc1SCC(=O)Nc3ccc(cc3)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[(4-CHLOROPHENYLCARBAMOYL)METHYLTHIO]-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE.cml
Quick Release
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