4-cyano-N-(4-methylphenyl)sulfonyl-5-methylsulfanyl-3-oxidanylidene-1,2-thiazole-2-carboxamide

Systemtic Name: 4-cyano-N-(4-methylphenyl)sulfonyl-5-methylsulfanyl-3-oxidanylidene-1,2-thiazole-2-carboxamide Openeye Name: 4-cyano-5-methylsulfanyl-3-oxo-N-(p-tolylsulfonyl)isothiazole-2-carboxamide CAS Name: 4-cyano-N-(4-methylphenyl)sulfonyl-5-(methylthio)-3-oxo-2-isothiazolecarboxamide IUPAC Name: 4-cyano-N-(4-methylphenyl)sulfonyl-5-methylsulfanyl-3-oxo-1,2-thiazole-2-carboxamide Traditional Name: 4-cyano-3-keto-5-(methylthio)-N-tosyl-4-isothiazoline-2-carboxamide Formula: C13H11N3O4S3 MolecularWeight: 369.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C(=O)C(=C(S2)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C(=O)C(=C(S2)SC)C#N

InChI

InChI=1S/C13H11N3O4S3/c1-8-3-5-9(6-4-8)23(19,20)15-13(18)16-11(17)10(7-14)12(21-2)22-16/h3-6H,1-2H3,(H,15,18)