N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine

Systemtic Name: N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine Openeye Name: N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine CAS Name: N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-3-(methylthio)-1-propanamine IUPAC Name: N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine Traditional Name: [3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-[3-(methylthio)propyl]amine Formula: C21H24FN3OS MolecularWeight: 385.498163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CNCCCSC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CNCCCSC

InChI

InChI=1S/C21H24FN3OS/c1-26-20-9-7-19(8-10-20)25-15-17(14-23-11-4-12-27-2)21(24-25)16-5-3-6-18(22)13-16/h3,5-10,13,15,23H,4,11-12,14H2,1-2H3