1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-[(2-pyrazol-1-ylpyridin-4-yl)methyl]urea

Systemtic Name: 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-[(2-pyrazol-1-ylpyridin-4-yl)methyl]urea Openeye Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[(2-pyrazol-1-yl-4-pyridyl)methyl]urea CAS Name: 1-[(1,1-dioxo-3-thiolanyl)methyl]-3-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]urea IUPAC Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[(2-pyrazol-1-ylpyridin-4-yl)methyl]urea Traditional Name: 1-[(1,1-diketothiolan-3-yl)methyl]-3-[(2-pyrazol-1-yl-4-pyridyl)methyl]urea Formula: C15H19N5O3S MolecularWeight: 349.40806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=O)NCC2=CC(=NC=C2)N3C=CC=N3

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=O)NCC2=CC(=NC=C2)N3C=CC=N3

InChI

InChI=1S/C15H19N5O3S/c21-15(18-10-13-3-7-24(22,23)11-13)17-9-12-2-5-16-14(8-12)20-6-1-4-19-20/h1-2,4-6,8,13H,3,7,9-11H2,(H2,17,18,21)