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

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-bromophenyl)-4-methyl-pyrazol-3-amine Openeye Name: 5-(4-bromophenyl)-2-(1,1-dioxothiolan-3-yl)-4-methyl-pyrazol-3-amine CAS Name: 5-(4-bromophenyl)-2-(1,1-dioxo-3-thiolanyl)-4-methyl-3-pyrazolamine IUPAC Name: 5-(4-bromophenyl)-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine Traditional Name: [5-(4-bromophenyl)-2-(1,1-diketothiolan-3-yl)-4-methyl-pyrazol-3-yl]amine Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O2S/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