3-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]benzoic acid

Systemtic Name: 3-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]benzoic acid Openeye Name: 3-[1-[1-(3-thienylmethyl)-4-piperidyl]triazol-4-yl]benzoic acid CAS Name: 3-[1-[1-(3-thiophenylmethyl)-4-piperidinyl]-4-triazolyl]benzoic acid IUPAC Name: 3-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]benzoic acid Traditional Name: 3-[1-[1-(3-thenyl)-4-piperidyl]triazol-4-yl]benzoic acid Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(N=N2)C3=CC(=CC=C3)C(=O)O)CC4=CSC=C4

Isomeric SMILES

C1CN(CCC1N2C=C(N=N2)C3=CC(=CC=C3)C(=O)O)CC4=CSC=C4

InChI

InChI=1S/C19H20N4O2S/c24-19(25)16-3-1-2-15(10-16)18-12-23(21-20-18)17-4-7-22(8-5-17)11-14-6-9-26-13-14/h1-3,6,9-10,12-13,17H,4-5,7-8,11H2,(H,24,25)