4-[3-[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[oxo-[2-[oxo-[2-(3-pyridinyl)-4-thiazolyl]methyl]-1-pyrazolidinyl]methyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C22H20N6O2S2 MolecularWeight: 464.5632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)C2=CSC(=N2)C3=CN=CC=C3)C(=O)C4=C(N=CC=C4)SCCCC#N

Isomeric SMILES

C1CN(N(C1)C(=O)C2=CSC(=N2)C3=CN=CC=C3)C(=O)C4=C(N=CC=C4)SCCCC#N

InChI

InChI=1S/C22H20N6O2S2/c23-8-1-2-13-31-20-17(7-4-10-25-20)21(29)27-11-5-12-28(27)22(30)18-15-32-19(26-18)16-6-3-9-24-14-16/h3-4,6-7,9-10,14-15H,1-2,5,11-13H2