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

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-1-pyrrolidino-ethanone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C20H22N4O2S/c25-19(22-10-4-5-11-22)16-27(26)15-17-14-21-24(18-8-2-1-3-9-18)20(17)23-12-6-7-13-23/h1-3,6-9,12-14H,4-5,10-11,15-16H2