4-chloranyl-3-ethyl-1-methyl-N-[[2,3,5,6-tetrakis(fluoranyl)-4-(3-methylbutylsulfanyl)phenyl]methyl]pyrazol-1-ium-1-carboxamide

Systemtic Name: 4-chloranyl-3-ethyl-1-methyl-N-[[2,3,5,6-tetrakis(fluoranyl)-4-(3-methylbutylsulfanyl)phenyl]methyl]pyrazol-1-ium-1-carboxamide Openeye Name: 4-chloro-3-ethyl-1-methyl-N-[(2,3,5,6-tetrafluoro-4-isopentylsulfanyl-phenyl)methyl]pyrazol-1-ium-1-carboxamide CAS Name: 4-chloro-3-ethyl-1-methyl-N-[[2,3,5,6-tetrafluoro-4-(3-methylbutylthio)phenyl]methyl]-1-pyrazol-1-iumcarboxamide IUPAC Name: 4-chloro-3-ethyl-1-methyl-N-[[2,3,5,6-tetrafluoro-4-(3-methylbutylsulfanyl)phenyl]methyl]pyrazol-1-ium-1-carboxamide Traditional Name: 4-chloro-3-ethyl-1-methyl-N-[2,3,5,6-tetrafluoro-4-(isoamylthio)benzyl]pyrazol-1-ium-1-carboxamide Formula: C19H23ClF4N3OS+ MolecularWeight: 452.917033

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](C=C1Cl)(C)C(=O)NCC2=C(C(=C(C(=C2F)F)SCCC(C)C)F)F

Isomeric SMILES

CCC1=N[N+](C=C1Cl)(C)C(=O)NCC2=C(C(=C(C(=C2F)F)SCCC(C)C)F)F

InChI

InChI=1S/C19H22ClF4N3OS/c1-5-13-12(20)9-27(4,26-13)19(28)25-8-11-14(21)16(23)18(17(24)15(11)22)29-7-6-10(2)3/h9-10H,5-8H2,1-4H3/p+1