N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-bromanyl-2-methyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-bromanyl-2-methyl-phenyl)sulfanyl-ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]acetamide Formula: C17H20BrN3O3S2 MolecularWeight: 458.393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C17H20BrN3O3S2/c1-11-7-13(18)3-4-15(11)25-9-17(22)19-16-8-12(2)20-21(16)14-5-6-26(23,24)10-14/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,19,22)