3-[3-(5-bromanylthiophen-2-yl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(5-bromanylthiophen-2-yl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(5-bromo-2-thienyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(5-bromo-2-thiophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(5-bromothiophen-2-yl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(5-bromo-2-thienyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C16H12BrN3O2S MolecularWeight: 390.25438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=C(S4)Br

InChI

InChI=1S/C16H12BrN3O2S/c17-13-5-4-12(23-13)14-11-6-7-18-15(11)20(19-14)10-3-1-2-9(8-10)16(21)22/h1-5,8,19H,6-7H2,(H,21,22)