1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid CAS Name: 1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]isonipecotic acid Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H16ClN3O2S/c16-12-3-1-10(2-4-12)9-13-17-15(22-18-13)19-7-5-11(6-8-19)14(20)21/h1-4,11H,5-9H2,(H,20,21)