2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-pyrrolidin-1-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-pyrrolidin-1-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-pyrrolidin-1-yl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-(1-pyrrolidinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-pyrrolidin-1-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-4-pyrrolidino-nicotinonitrile Formula: C22H24FN5OS MolecularWeight: 425.522263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=C2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=C2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C22H24FN5OS/c23-17-3-5-18(6-4-17)26-11-13-28(14-12-26)21(29)16-30-22-19(15-24)20(7-8-25-22)27-9-1-2-10-27/h3-8H,1-2,9-14,16H2