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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC=C(C=C2)I)C3CCS(=O)(=O)C3)N

Isomeric SMILES

CC1=C(N(N=C1C2=CC=C(C=C2)I)C3CCS(=O)(=O)C3)N

InChI

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