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

Systemtic Name: potassium [4-chloranyl-5-[(4-fluorophenyl)carbamoyl]-2-(phenylmethylsulfanyl)phenyl]sulfonyl-cyano-azanide Openeye Name: potassium [2-benzylsulfanyl-4-chloro-5-[(4-fluorophenyl)carbamoyl]phenyl]sulfonyl-cyano-azanide CAS Name: potassium [4-chloro-5-[(4-fluoroanilino)-oxomethyl]-2-(phenylmethylthio)phenyl]sulfonyl-cyanoazanide IUPAC Name: potassium [2-benzylsulfanyl-4-chloro-5-[(4-fluorophenyl)carbamoyl]phenyl]sulfonyl-cyanoazanide Traditional Name: potassium [2-(benzylthio)-4-chloro-5-[(4-fluorophenyl)carbamoyl]phenyl]sulfonyl-cyano-azanide Formula: C21H14ClFKN3O3S2 MolecularWeight: 514.033863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)[N-]C#N.[K+]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)[N-]C#N.[K+]

InChI

InChI=1S/C21H15ClFN3O3S2.K/c22-18-11-19(30-12-14-4-2-1-3-5-14)20(31(28,29)25-13-24)10-17(18)21(27)26-16-8-6-15(23)7-9-16;/h1-11,24H,12H2,(H,26,27);/q;+1/p-1