2-[5-(4-fluorophenyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-(4-fluorophenyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-benzyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(4-fluorophenyl)-1-(phenylmethyl)-2-imidazolyl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-benzyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-benzyl-5-(4-fluorophenyl)imidazol-2-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C26H25FN6OS MolecularWeight: 488.579703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC=C(N3CC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC=C(N3CC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H25FN6OS/c27-22-9-7-21(8-10-22)23-17-30-26(33(23)18-20-5-2-1-3-6-20)35-19-24(34)31-13-15-32(16-14-31)25-28-11-4-12-29-25/h1-12,17H,13-16,18-19H2