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

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-1-(4-propylpiperazin-1-yl)ethanone Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-1-(4-propylpiperazin-1-yl)ethanone CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]-1-(4-propyl-1-piperazinyl)ethanone IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-1-(4-propylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-1-(4-propylpiperazino)ethanone Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCCN1CCN(CC1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C23H29N5O2S/c1-2-10-25-13-15-26(16-14-25)22(29)19-31(30)18-20-17-24-28(21-8-4-3-5-9-21)23(20)27-11-6-7-12-27/h3-9,11-12,17H,2,10,13-16,18-19H2,1H3