3-[3-(quinolin-8-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 3-[3-(quinolin-8-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-(8-quinolylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-(8-quinolinylmethylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-(quinolin-8-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-(8-quinolylmethylthio)-5-(2-thienyl)-1,2,4-triazol-4-yl]propionic acid Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CSC3=NN=C(N3CCC(=O)O)C4=CC=CS4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CSC3=NN=C(N3CCC(=O)O)C4=CC=CS4)N=CC=C2

InChI

InChI=1S/C19H16N4O2S2/c24-16(25)8-10-23-18(15-7-3-11-26-15)21-22-19(23)27-12-14-5-1-4-13-6-2-9-20-17(13)14/h1-7,9,11H,8,10,12H2,(H,24,25)