1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea Openeye Name: 1-(1,1-dioxothiolan-3-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-[(1-phenyl-4-pyrazolyl)methyl]urea IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea Formula: C15H18N4O3S MolecularWeight: 334.39342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4O3S/c20-15(18-13-6-7-23(21,22)11-13)16-8-12-9-17-19(10-12)14-4-2-1-3-5-14/h1-5,9-10,13H,6-8,11H2,(H2,16,18,20)