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

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

CC(C(=O)O)N1C(=NN=C1SCC2=CC=CC3=C2N=CC=C3)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)O)N1C(=NN=C1SCC2=CC=CC3=C2N=CC=C3)C4=CC=CS4

InChI

InChI=1S/C19H16N4O2S2/c1-12(18(24)25)23-17(15-8-4-10-26-15)21-22-19(23)27-11-14-6-2-5-13-7-3-9-20-16(13)14/h2-10,12H,11H2,1H3,(H,24,25)/t12-/m0/s1