3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-phenyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N4O3S/c26-19(27)11-13-29-21-24-23-18(25(21)16-8-2-1-3-9-16)14-28-17-10-4-6-15-7-5-12-22-20(15)17/h1-10,12H,11,13-14H2,(H,26,27)