3-(cyanomethylsulfonyl)-5-methyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-(cyanomethylsulfonyl)-5-methyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-(cyanomethylsulfonyl)-5-methyl-isothiazole-4-carbonitrile CAS Name: 3-(cyanomethylsulfonyl)-5-methyl-4-isothiazolecarbonitrile IUPAC Name: 3-(cyanomethylsulfonyl)-5-methyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(cyanomethylsulfonyl)-5-methyl-isothiazole-4-carbonitrile Formula: C7H5N3O2S2 MolecularWeight: 227.2635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)S(=O)(=O)CC#N)C#N

Isomeric SMILES

CC1=C(C(=NS1)S(=O)(=O)CC#N)C#N

InChI

InChI=1S/C7H5N3O2S2/c1-5-6(4-9)7(10-13-5)14(11,12)3-2-8/h3H2,1H3