3-[(E)-N-[(4-chlorophenyl)amino]-C-cyano-carbonimidoyl]sulfonyl-5-methyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-[(E)-N-[(4-chlorophenyl)amino]-C-cyano-carbonimidoyl]sulfonyl-5-methyl-1,2-thiazole-4-carbonitrile Openeye Name: (1E)-N-(4-chloroanilino)-1-(4-cyano-5-methyl-isothiazol-3-yl)sulfonyl-formimidoyl cyanide CAS Name: 3-[(E)-[(4-chlorophenyl)hydrazinylidene]-cyanomethyl]sulfonyl-5-methyl-4-isothiazolecarbonitrile IUPAC Name: (1E)-N-(4-chloroanilino)-1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]methanimidoyl cyanide Traditional Name: 3-[(E)-N-(4-chloroanilino)-C-cyano-carbonimidoyl]sulfonyl-5-methyl-isothiazole-4-carbonitrile Formula: C13H8ClN5O2S2 MolecularWeight: 365.81792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClN5O2S2/c1-8-11(6-15)13(19-22-8)23(20,21)12(7-16)18-17-10-4-2-9(14)3-5-10/h2-5,17H,1H3/b18-12+