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

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(1,1-dioxothiolan-3-yl)methyl]pyrazole-4-carboxamide CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(1,1-dioxothiolan-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(1,1-diketothiolan-3-yl)methyl]pyrazole-4-carboxamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H19N3O3S/c20-16(17-8-14-6-7-23(21,22)12-14)15-9-18-19(11-15)10-13-4-2-1-3-5-13/h1-5,9,11,14H,6-8,10,12H2,(H,17,20)