2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(2-iodanylphenyl)-4-methyl-pyrazol-3-amine

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(2-iodanylphenyl)-4-methyl-pyrazol-3-amine Openeye Name: 2-(1,1-dioxothiolan-3-yl)-5-(2-iodophenyl)-4-methyl-pyrazol-3-amine CAS Name: 2-(1,1-dioxo-3-thiolanyl)-5-(2-iodophenyl)-4-methyl-3-pyrazolamine IUPAC Name: 2-(1,1-dioxothiolan-3-yl)-5-(2-iodophenyl)-4-methylpyrazol-3-amine Traditional Name: [2-(1,1-diketothiolan-3-yl)-5-(2-iodophenyl)-4-methyl-pyrazol-3-yl]amine Formula: C14H16IN3O2S MolecularWeight: 417.26521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC=CC=C2I)C3CCS(=O)(=O)C3)N

Isomeric SMILES

CC1=C(N(N=C1C2=CC=CC=C2I)C3CCS(=O)(=O)C3)N

InChI

InChI=1S/C14H16IN3O2S/c1-9-13(11-4-2-3-5-12(11)15)17-18(14(9)16)10-6-7-21(19,20)8-10/h2-5,10H,6-8,16H2,1H3