N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C17H21N3O3S/c1-12-16(17(21)18-15-8-9-24(22,23)11-15)13(2)20(19-12)10-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,18,21)