ethyl 2-[[(6-chloranyl-7-fluoranyl-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-methylsulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[[(6-chloranyl-7-fluoranyl-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-methylsulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[[(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-methylsulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-[[(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-(methylthio)-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-methylsulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-[[(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-(methylthio)-1H-imidazole-5-carboxylic acid ethyl ester Formula: C21H19ClFN5O2S MolecularWeight: 459.924263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1)CNC2=NNC3=C(C(=C(C=C32)C4=CC=CC=C4)Cl)F)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1)CNC2=NNC3=C(C(=C(C=C32)C4=CC=CC=C4)Cl)F)SC

InChI

InChI=1S/C21H19ClFN5O2S/c1-3-30-21(29)18-20(31-2)26-14(25-18)10-24-19-13-9-12(11-7-5-4-6-8-11)15(22)16(23)17(13)27-28-19/h4-9H,3,10H2,1-2H3,(H,25,26)(H2,24,27,28)