[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(2-methylsulfanylethyl)azanium

Systemtic Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-pyrazolyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-[2-(methylthio)ethyl]ammonium Formula: C20H23FN3OS+ MolecularWeight: 372.479523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCSC)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCSC)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3OS/c1-25-17-9-7-15(8-10-17)20-16(13-22-11-12-26-2)14-24(23-20)19-6-4-3-5-18(19)21/h3-10,14,22H,11-13H2,1-2H3/p+1