methyl 2-cyano-4-(2,4-dimethylimidazol-1-yl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-cyano-4-(2,4-dimethylimidazol-1-yl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-(2,4-dimethylimidazol-1-yl)-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-(2,4-dimethyl-1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-(2,4-dimethylimidazol-1-yl)-5-methylsulfonylbenzoate Traditional Name: 2-cyano-4-(2,4-dimethylimidazol-1-yl)-5-mesyl-benzoic acid methyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C)C2=C(C=C(C(=C2)C#N)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C(=N1)C)C2=C(C=C(C(=C2)C#N)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C15H15N3O4S/c1-9-8-18(10(2)17-9)13-5-11(7-16)12(15(19)22-3)6-14(13)23(4,20)21/h5-6,8H,1-4H3