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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-(1,1-dioxo-3-thiolanyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-(1,1-diketothiolan-3-yl)-5-methyl-pyrazole-4-carboxamide Formula: C15H16BrN3O3S MolecularWeight: 398.27484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O3S/c1-10-14(15(20)18-12-6-7-23(21,22)9-12)8-17-19(10)13-4-2-11(16)3-5-13/h2-5,8,12H,6-7,9H2,1H3,(H,18,20)