(5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)Cl

InChI

InChI=1S/C16H15ClN4O2S/c1-20-13(17)9-18-14(20)10-23-15(22)12-8-19-16(24-2)21(12)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3