4-[3-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[2-[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-pyrazolidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-[3-(2,5-dimethoxyphenyl)acryloyl]pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C24H26N4O4S MolecularWeight: 466.55264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O4S/c1-31-19-9-10-21(32-2)18(17-19)8-11-22(29)27-14-6-15-28(27)24(30)20-7-5-13-26-23(20)33-16-4-3-12-25/h5,7-11,13,17H,3-4,6,14-16H2,1-2H3