N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenylsulfanyl-ethanamine

Systemtic Name: N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenylsulfanyl-ethanamine Openeye Name: N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenylsulfanyl-ethanamine CAS Name: N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(phenylthio)ethanamine IUPAC Name: N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenylsulfanylethanamine Traditional Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[2-(phenylthio)ethyl]amine Formula: C18H18FN3S MolecularWeight: 327.419023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNCC2=C(NN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)SCCNCC2=C(NN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3S/c19-16-8-6-14(7-9-16)18-15(13-21-22-18)12-20-10-11-23-17-4-2-1-3-5-17/h1-9,13,20H,10-12H2,(H,21,22)