phenyl 2-cyano-4,5-dimethyl-imidazole-1-sulfinate

Systemtic Name: phenyl 2-cyano-4,5-dimethyl-imidazole-1-sulfinate Openeye Name: phenyl 2-cyano-4,5-dimethyl-imidazole-1-sulfinate CAS Name: 2-cyano-4,5-dimethyl-1-imidazolesulfinic acid phenyl ester IUPAC Name: phenyl 2-cyano-4,5-dimethylimidazole-1-sulfinate Traditional Name: 2-cyano-4,5-dimethyl-imidazole-1-sulfinic acid phenyl ester Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)C#N)S(=O)OC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=N1)C#N)S(=O)OC2=CC=CC=C2)C

InChI

InChI=1S/C12H11N3O2S/c1-9-10(2)15(12(8-13)14-9)18(16)17-11-6-4-3-5-7-11/h3-7H,1-2H3