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

Systemtic Name: ethyl 2-[[(6-chloranyl-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-methylsulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[[(6-chloro-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-methylsulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-[[(6-chloro-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-(methylthio)-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(6-chloro-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-methylsulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-[[(6-chloro-5-phenyl-1H-indazol-3-yl)amino]methyl]-4-(methylthio)-1H-imidazole-5-carboxylic acid ethyl ester Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O2S/c1-3-29-21(28)18-20(30-2)25-17(24-18)11-23-19-14-9-13(12-7-5-4-6-8-12)15(22)10-16(14)26-27-19/h4-10H,3,11H2,1-2H3,(H,24,25)(H2,23,26,27)