[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium

Systemtic Name: [3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Openeye Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]ammonium CAS Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-[2-[(1-methyl-2-imidazolyl)thio]ethyl]ammonium IUPAC Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Traditional Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]ammonium Formula: C23H25FN5OS+ MolecularWeight: 438.540903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C23H24FN5OS/c1-28-12-10-26-23(28)31-13-11-25-15-17-16-29(18-6-4-3-5-7-18)27-22(17)20-9-8-19(30-2)14-21(20)24/h3-10,12,14,16,25H,11,13,15H2,1-2H3/p+1