5-[(3-methylsulfonylphenyl)amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[(3-methylsulfonylphenyl)amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-(3-methylsulfonylanilino)-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-(3-methylsulfonylanilino)-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-(3-methylsulfonylanilino)-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 3-keto-5-(3-mesylanilino)-4-isothiazoline-4-carbonitrile Formula: C11H9N3O3S2 MolecularWeight: 295.33746

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=C(C(=O)NS2)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=C(C(=O)NS2)C#N

InChI

InChI=1S/C11H9N3O3S2/c1-19(16,17)8-4-2-3-7(5-8)13-11-9(6-12)10(15)14-18-11/h2-5,13H,1H3,(H,14,15)