2-[4-[1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carbonyl]piperazino]isonicotinonitrile Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C22H23N5O2S/c1-30-19-4-2-3-18(13-19)27-15-17(12-21(27)28)22(29)26-9-7-25(8-10-26)20-11-16(14-23)5-6-24-20/h2-6,11,13,17H,7-10,12,15H2,1H3