[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: [4-(1,1-diketothiolan-3-yl)piperazino]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C23H25N5O3S MolecularWeight: 451.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N5O3S/c29-23(27-12-10-26(11-13-27)20-8-14-32(30,31)17-20)21-16-28(19-6-2-1-3-7-19)25-22(21)18-5-4-9-24-15-18/h1-7,9,15-16,20H,8,10-14,17H2