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

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-3-bromanyl-4-methoxy-N-methyl-benzamide Openeye Name: 3-bromo-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-4-methoxy-N-methyl-benzamide CAS Name: 3-bromo-N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-4-methoxy-N-methylbenzamide IUPAC Name: 3-bromo-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide Traditional Name: 3-bromo-N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-4-methoxy-N-methyl-benzamide Formula: C19H24BrN3O4S MolecularWeight: 470.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H24BrN3O4S/c1-12-16(13(2)23(21-12)15-7-8-28(25,26)11-15)10-22(3)19(24)14-5-6-18(27-4)17(20)9-14/h5-6,9,15H,7-8,10-11H2,1-4H3