[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium

Systemtic Name: [5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Openeye Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]ammonium CAS Name: [5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[2-[(1-methyl-2-imidazolyl)thio]ethyl]ammonium IUPAC Name: [5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Traditional Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]ammonium Formula: C17H21FN5OS+ MolecularWeight: 362.444943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C17H20FN5OS/c1-23-7-5-20-17(23)25-8-6-19-10-12-11-21-22-16(12)14-4-3-13(24-2)9-15(14)18/h3-5,7,9,11,19H,6,8,10H2,1-2H3,(H,21,22)/p+1