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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]ethanone Traditional Name: 1-(4-ethylpiperazino)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone Formula: C22H27N5O2S MolecularWeight: 425.54708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-2-24-12-14-25(15-13-24)21(28)18-30(29)17-19-16-23-27(20-8-4-3-5-9-20)22(19)26-10-6-7-11-26/h3-11,16H,2,12-15,17-18H2,1H3