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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

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