1-(4-methylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]ethanone Traditional Name: 1-(4-methylpiperazino)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H25N5O2S/c1-23-11-13-24(14-12-23)20(27)17-29(28)16-18-15-22-26(19-7-3-2-4-8-19)21(18)25-9-5-6-10-25/h2-10,15H,11-14,16-17H2,1H3