N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diketothiolan-3-yl)pyrazole-4-carboxamide Formula: C15H17N3O3S MolecularWeight: 319.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C15H17N3O3S/c19-15(17-14-6-7-22(20,21)11-14)13-8-16-18(10-13)9-12-4-2-1-3-5-12/h1-5,8,10,14H,6-7,9,11H2,(H,17,19)