4-[3-[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4S/c1-30-17-9-8-16(23)19(31-2)18(17)22(29)27-13-6-12-26(27)21(28)15-7-5-11-25-20(15)32-14-4-3-10-24/h5,7-9,11H,3-4,6,12-14H2,1-2H3