N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-4-cyano-N-methyl-benzamide

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-4-cyano-N-methyl-benzamide Openeye Name: 4-cyano-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-benzamide CAS Name: 4-cyano-N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-N-methylbenzamide IUPAC Name: 4-cyano-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzamide Traditional Name: 4-cyano-N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-benzamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H22N4O3S/c1-13-18(14(2)23(21-13)17-8-9-27(25,26)12-17)11-22(3)19(24)16-6-4-15(10-20)5-7-16/h4-7,17H,8-9,11-12H2,1-3H3