1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]ethanone IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]ethanone Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]ethanone Formula: C26H26FN5OS MolecularWeight: 475.580943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C26H26FN5OS/c27-22-8-10-23(11-9-22)29-14-16-30(17-15-29)25(33)20-34-19-21-18-28-32(24-6-2-1-3-7-24)26(21)31-12-4-5-13-31/h1-13,18H,14-17,19-20H2