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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3CCS(=O)(=O)C3)C

InChI

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