4-[3-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-(2,6-dimethoxynicotinoyl)pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N)OC

InChI

InChI=1S/C21H23N5O4S/c1-29-17-9-8-15(18(24-17)30-2)20(27)25-12-6-13-26(25)21(28)16-7-5-11-23-19(16)31-14-4-3-10-22/h5,7-9,11H,3-4,6,12-14H2,1-2H3