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

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-3-iodanyl-N-methyl-benzamide Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-iodo-N-methyl-benzamide CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-3-iodo-N-methylbenzamide IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-3-iodo-N-methylbenzamide Traditional Name: N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-iodo-N-methyl-benzamide Formula: C18H22IN3O3S MolecularWeight: 487.35505

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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=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C18H22IN3O3S/c1-12-17(10-21(3)18(23)14-5-4-6-15(19)9-14)13(2)22(20-12)16-7-8-26(24,25)11-16/h4-6,9,16H,7-8,10-11H2,1-3H3