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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3CCS(=O)(=O)C3

InChI

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