(1-cyanoindolizin-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H16N4O2S/c1-28-21-23-12-19(25(21)16-7-3-2-4-8-16)20(26)27-14-15-13-24-10-6-5-9-18(24)17(15)11-22/h2-10,12-13H,14H2,1H3