N'-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-1-(phenylmethyl)pyrazole-4-carbohydrazide

Systemtic Name: N'-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-1-(phenylmethyl)pyrazole-4-carbohydrazide Openeye Name: 1-benzyl-N'-[(3R)-1,1-dioxothiolane-3-carbonyl]pyrazole-4-carbohydrazide CAS Name: N'-[[(3R)-1,1-dioxo-3-thiolanyl]-oxomethyl]-1-(phenylmethyl)-4-pyrazolecarbohydrazide IUPAC Name: 1-benzyl-N'-[(3R)-1,1-dioxothiolane-3-carbonyl]pyrazole-4-carbohydrazide Traditional Name: 1-benzyl-N'-[(3R)-1,1-diketothiolane-3-carbonyl]pyrazole-4-carbohydrazide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1C(=O)NNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1C(=O)NNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O4S/c21-15(13-6-7-25(23,24)11-13)18-19-16(22)14-8-17-20(10-14)9-12-4-2-1-3-5-12/h1-5,8,10,13H,6-7,9,11H2,(H,18,21)(H,19,22)/t13-/m0/s1