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

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(5-bromanylthiophen-2-yl)-4-methyl-pyrazol-3-amine Openeye Name: 5-(5-bromo-2-thienyl)-2-(1,1-dioxothiolan-3-yl)-4-methyl-pyrazol-3-amine CAS Name: 5-(5-bromo-2-thiophenyl)-2-(1,1-dioxo-3-thiolanyl)-4-methyl-3-pyrazolamine IUPAC Name: 5-(5-bromothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine Traditional Name: [5-(5-bromo-2-thienyl)-2-(1,1-diketothiolan-3-yl)-4-methyl-pyrazol-3-yl]amine Formula: C12H14BrN3O2S2 MolecularWeight: 376.29246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC=C(S2)Br)C3CCS(=O)(=O)C3)N

Isomeric SMILES

CC1=C(N(N=C1C2=CC=C(S2)Br)C3CCS(=O)(=O)C3)N

InChI

InChI=1S/C12H14BrN3O2S2/c1-7-11(9-2-3-10(13)19-9)15-16(12(7)14)8-4-5-20(17,18)6-8/h2-3,8H,4-6,14H2,1H3