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

Systemtic Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-[2-(methylthio)ethyl]ammonium Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]CCSC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]CCSC

InChI

InChI=1S/C20H22ClN3OS/c1-25-17-9-7-16(8-10-17)24-14-15(13-22-11-12-26-2)20(23-24)18-5-3-4-6-19(18)21/h3-10,14,22H,11-13H2,1-2H3/p+1