N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-bromanyl-3-methyl-butanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-bromanyl-3-methyl-butanamide Openeye Name: 2-bromo-N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-3-methyl-butanamide CAS Name: 2-bromo-N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-3-methylbutanamide IUPAC Name: 2-bromo-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-methylbutanamide Traditional Name: 2-bromo-N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-3-methyl-butyramide Formula: C13H20BrN3O3S MolecularWeight: 378.2852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C(C(C)C)Br)C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C(C(C)C)Br)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H20BrN3O3S/c1-8(2)12(14)13(18)15-11-6-9(3)16-17(11)10-4-5-21(19,20)7-10/h6,8,10,12H,4-5,7H2,1-3H3,(H,15,18)