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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(1,1-dioxo-3-thiolanyl)benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(1,1-diketothiolan-3-yl)benzamide Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)C)Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-10-15(17)11(2)20(19-10)14-5-3-12(4-6-14)16(21)18-13-7-8-24(22,23)9-13/h3-6,13H,7-9H2,1-2H3,(H,18,21)