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

Systemtic Name: 3-(3-thiophen-3-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Openeye Name: 3-[3-(3-thienyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(3-thiophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-(3-thiophen-3-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Traditional Name: 3-[3-(3-thienyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CSC=C4

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CSC=C4

InChI

InChI=1S/C16H13N3O2S/c20-16(21)10-2-1-3-12(8-10)19-15-13(4-6-17-15)14(18-19)11-5-7-22-9-11/h1-3,5,7-9,18H,4,6H2,(H,20,21)