4-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 4-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyltetrazol-1-yl]benzoic acid CAS Name: 4-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1-tetrazolyl]benzoic acid IUPAC Name: 4-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]benzoic acid Traditional Name: 4-[5-[(2-keto-2-piperidino-ethyl)thio]tetrazol-1-yl]benzoic acid Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H17N5O3S/c21-13(19-8-2-1-3-9-19)10-24-15-16-17-18-20(15)12-6-4-11(5-7-12)14(22)23/h4-7H,1-3,8-10H2,(H,22,23)