N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine

Systemtic Name: N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine Openeye Name: N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine CAS Name: N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-pyrazolyl]methyl]-2-(methylthio)ethanamine IUPAC Name: N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methylsulfanylethanamine Traditional Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-[2-(methylthio)ethyl]amine Formula: C20H22FN3OS MolecularWeight: 371.471583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CNCCSC)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CNCCSC)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