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

Systemtic Name: 1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-2-[4-(2-thenyl)piperazino]ethyl]pyrazole-4-carboxylic acid Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CN3C=C(C=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C15H18N4O3S/c20-14(11-19-9-12(8-16-19)15(21)22)18-5-3-17(4-6-18)10-13-2-1-7-23-13/h1-2,7-9H,3-6,10-11H2,(H,21,22)