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

Systemtic Name: 1-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-4-carboxylate Openeye Name: 1-[3-oxo-3-[4-(2-thienylmethyl)piperazin-1-yl]propyl]pyrazole-4-carboxylate CAS Name: 1-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-4-carboxylate Traditional Name: 1-[3-keto-3-[4-(2-thenyl)piperazino]propyl]pyrazole-4-carboxylate Formula: C16H19N4O3S- MolecularWeight: 347.41206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C=C(C=N3)C(=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C=C(C=N3)C(=O)[O-]

InChI

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