2-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[4-(2-thienylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[4-(2-thenyl)piperazino]propyl]pyrazole-3-carboxylic acid Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C16H20N4O3S/c21-15(4-6-20-14(16(22)23)3-5-17-20)19-9-7-18(8-10-19)12-13-2-1-11-24-13/h1-3,5,11H,4,6-10,12H2,(H,22,23)