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

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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=CC=N5)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=CC=N5)C6=CC=CC=C6

InChI

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