N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-2-bromanyl-N-methyl-benzamide

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-2-bromanyl-N-methyl-benzamide Openeye Name: 2-bromo-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-benzamide CAS Name: 2-bromo-N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-N-methylbenzamide IUPAC Name: 2-bromo-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzamide Traditional Name: 2-bromo-N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-benzamide Formula: C18H22BrN3O3S MolecularWeight: 440.35458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H22BrN3O3S/c1-12-16(10-21(3)18(23)15-6-4-5-7-17(15)19)13(2)22(20-12)14-8-9-26(24,25)11-14/h4-7,14H,8-11H2,1-3H3