3-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-3-pyridin-2-yl-pyrazol-4-yl]methyl]-N-pyridin-4-yl-benzamide

Systemtic Name: 3-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-3-pyridin-2-yl-pyrazol-4-yl]methyl]-N-pyridin-4-yl-benzamide Openeye Name: 3-[[1-(1,1-dioxothiolan-3-yl)-5-phenyl-3-(2-pyridyl)pyrazol-4-yl]methyl]-N-(4-pyridyl)benzamide CAS Name: 3-[[1-(1,1-dioxo-3-thiolanyl)-5-phenyl-3-(2-pyridinyl)-4-pyrazolyl]methyl]-N-pyridin-4-ylbenzamide IUPAC Name: 3-[[1-(1,1-dioxothiolan-3-yl)-5-phenyl-3-pyridin-2-ylpyrazol-4-yl]methyl]-N-pyridin-4-ylbenzamide Traditional Name: 3-[[1-(1,1-diketothiolan-3-yl)-5-phenyl-3-(2-pyridyl)pyrazol-4-yl]methyl]-N-(4-pyridyl)benzamide Formula: C31H27N5O3S MolecularWeight: 549.64278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=C(C(=N2)C3=CC=CC=N3)CC4=CC=CC(=C4)C(=O)NC5=CC=NC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=C(C(=N2)C3=CC=CC=N3)CC4=CC=CC(=C4)C(=O)NC5=CC=NC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H27N5O3S/c37-31(34-25-12-16-32-17-13-25)24-10-6-7-22(19-24)20-27-29(28-11-4-5-15-33-28)35-36(26-14-18-40(38,39)21-26)30(27)23-8-2-1-3-9-23/h1-13,15-17,19,26H,14,18,20-21H2,(H,32,34,37)