3-methoxy-5-methylsulfonyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-methoxy-5-methylsulfonyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-methoxy-5-methylsulfonyl-isothiazole-4-carbonitrile CAS Name: 3-methoxy-5-methylsulfonyl-4-isothiazolecarbonitrile IUPAC Name: 3-methoxy-5-methylsulfonyl-1,2-thiazole-4-carbonitrile Traditional Name: 5-mesyl-3-methoxy-isothiazole-4-carbonitrile Formula: C6H6N2O3S2 MolecularWeight: 218.25344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NSC(=C1C#N)S(=O)(=O)C

Isomeric SMILES

COC1=NSC(=C1C#N)S(=O)(=O)C

InChI

InChI=1S/C6H6N2O3S2/c1-11-5-4(3-7)6(12-8-5)13(2,9)10/h1-2H3