3-[(Z)-C-cyano-N-phenylazanyl-carbonimidoyl]sulfonyl-5-methyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-[(Z)-C-cyano-N-phenylazanyl-carbonimidoyl]sulfonyl-5-methyl-1,2-thiazole-4-carbonitrile Openeye Name: (1Z)-N-anilino-1-(4-cyano-5-methyl-isothiazol-3-yl)sulfonyl-formimidoyl cyanide CAS Name: 3-[(Z)-cyano-(phenylhydrazinylidene)methyl]sulfonyl-5-methyl-4-isothiazolecarbonitrile IUPAC Name: (1Z)-N-anilino-1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]methanimidoyl cyanide Traditional Name: 3-[(Z)-N-anilino-C-cyano-carbonimidoyl]sulfonyl-5-methyl-isothiazole-4-carbonitrile Formula: C13H9N5O2S2 MolecularWeight: 331.37286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)S(=O)(=O)C(=NNC2=CC=CC=C2)C#N)C#N

Isomeric SMILES

CC1=C(C(=NS1)S(=O)(=O)/C(=N\NC2=CC=CC=C2)/C#N)C#N

InChI

InChI=1S/C13H9N5O2S2/c1-9-11(7-14)13(18-21-9)22(19,20)12(8-15)17-16-10-5-3-2-4-6-10/h2-6,16H,1H3/b17-12-