4-[3-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)C2=C(N=CC=C2)SCCCC#N)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(N(C1)C(=O)C2=C(N=CC=C2)SCCCC#N)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O4S/c23-8-1-2-12-31-21-17(5-3-9-24-21)22(28)26-11-4-10-25(26)20(27)14-16-6-7-18-19(13-16)30-15-29-18/h3,5-7,9,13H,1-2,4,10-12,14-15H2