5-(4-fluorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-2-thione

Systemtic Name: 5-(4-fluorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-2-thione Openeye Name: 5-(4-fluorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-2-thione CAS Name: 5-(4-fluorophenyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-oxazolethione IUPAC Name: 5-(4-fluorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-2-thione Traditional Name: 5-(4-fluorophenyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-oxazoline-2-thione Formula: C18H19FN5OS+ MolecularWeight: 372.439763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=C(OC2=S)C3=CC=C(C=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=C(OC2=S)C3=CC=C(C=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C18H18FN5OS/c19-15-4-2-14(3-5-15)16-12-24(18(26)25-16)13-22-8-10-23(11-9-22)17-20-6-1-7-21-17/h1-7,12H,8-11,13H2/p+1