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

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

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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(4-6-20-5-3-14(17-20)16(22)23)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)/p-1