potassium [4-chloranyl-5-[(4-methoxyphenyl)carbamoyl]-2-(phenylmethylsulfanyl)phenyl]sulfonyl-cyano-azanide

Systemtic Name: potassium [4-chloranyl-5-[(4-methoxyphenyl)carbamoyl]-2-(phenylmethylsulfanyl)phenyl]sulfonyl-cyano-azanide Openeye Name: potassium [2-benzylsulfanyl-4-chloro-5-[(4-methoxyphenyl)carbamoyl]phenyl]sulfonyl-cyano-azanide CAS Name: potassium [4-chloro-5-[(4-methoxyanilino)-oxomethyl]-2-(phenylmethylthio)phenyl]sulfonyl-cyanoazanide IUPAC Name: potassium [2-benzylsulfanyl-4-chloro-5-[(4-methoxyphenyl)carbamoyl]phenyl]sulfonyl-cyanoazanide Traditional Name: potassium [2-(benzylthio)-4-chloro-5-[(4-methoxyphenyl)carbamoyl]phenyl]sulfonyl-cyano-azanide Formula: C22H17ClKN3O4S2 MolecularWeight: 526.06938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SCC3=CC=CC=C3)S(=O)(=O)[N-]C#N.[K+]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SCC3=CC=CC=C3)S(=O)(=O)[N-]C#N.[K+]

InChI

InChI=1S/C22H18ClN3O4S2.K/c1-30-17-9-7-16(8-10-17)26-22(27)18-11-21(32(28,29)25-14-24)20(12-19(18)23)31-13-15-5-3-2-4-6-15;/h2-12,24H,13H2,1H3,(H,26,27);/q;+1/p-1