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

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(5-bromanylthiophen-2-yl)-4-ethyl-pyrazol-3-amine Openeye Name: 5-(5-bromo-2-thienyl)-2-(1,1-dioxothiolan-3-yl)-4-ethyl-pyrazol-3-amine CAS Name: 5-(5-bromo-2-thiophenyl)-2-(1,1-dioxo-3-thiolanyl)-4-ethyl-3-pyrazolamine IUPAC Name: 5-(5-bromothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-3-amine Traditional Name: [5-(5-bromo-2-thienyl)-2-(1,1-diketothiolan-3-yl)-4-ethyl-pyrazol-3-yl]amine Formula: C13H16BrN3O2S2 MolecularWeight: 390.31904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C2=CC=C(S2)Br)C3CCS(=O)(=O)C3)N

Isomeric SMILES

CCC1=C(N(N=C1C2=CC=C(S2)Br)C3CCS(=O)(=O)C3)N

InChI

InChI=1S/C13H16BrN3O2S2/c1-2-9-12(10-3-4-11(14)20-10)16-17(13(9)15)8-5-6-21(18,19)7-8/h3-4,8H,2,5-7,15H2,1H3