2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-bromanyl-2-chloranyl-phenyl)pyrazol-3-amine

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-bromanyl-2-chloranyl-phenyl)pyrazol-3-amine Openeye Name: 5-(4-bromo-2-chloro-phenyl)-2-(1,1-dioxothiolan-3-yl)pyrazol-3-amine CAS Name: 5-(4-bromo-2-chlorophenyl)-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolamine IUPAC Name: 5-(4-bromo-2-chlorophenyl)-2-(1,1-dioxothiolan-3-yl)pyrazol-3-amine Traditional Name: [5-(4-bromo-2-chloro-phenyl)-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]amine Formula: C13H13BrClN3O2S MolecularWeight: 390.68322

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C3=C(C=C(C=C3)Br)Cl)N

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=CC(=N2)C3=C(C=C(C=C3)Br)Cl)N

InChI

InChI=1S/C13H13BrClN3O2S/c14-8-1-2-10(11(15)5-8)12-6-13(16)18(17-12)9-3-4-21(19,20)7-9/h1-2,5-6,9H,3-4,7,16H2