N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine

Systemtic Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine Openeye Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine CAS Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methyl]-2-[(1-methyl-2-imidazolyl)thio]ethanamine IUPAC Name: N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine Traditional Name: [1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]amine Formula: C18H22FN5S MolecularWeight: 359.464183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNCCSC3=NC=CN3C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNCCSC3=NC=CN3C

InChI

InChI=1S/C18H22FN5S/c1-13-17(12-20-9-11-25-18-21-8-10-23(18)3)14(2)24(22-13)16-6-4-15(19)5-7-16/h4-8,10,20H,9,11-12H2,1-3H3