N-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine

Systemtic Name: N-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine Openeye Name: N-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine CAS Name: N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-[(1-methyl-2-imidazolyl)thio]ethanamine IUPAC Name: N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine Traditional Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]amine Formula: C17H20FN5OS MolecularWeight: 361.437003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNCC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CN1C=CN=C1SCCNCC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C17H20FN5OS/c1-23-7-5-20-17(23)25-8-6-19-10-12-11-21-22-16(12)14-4-3-13(24-2)9-15(14)18/h3-5,7,9,11,19H,6,8,10H2,1-2H3,(H,21,22)