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

Systemtic Name: 2-[[4-phenethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-phenethyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-phenethyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-phenethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-phenethyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H20N4O3S/c27-20(28)15-30-22-25-24-19(26(22)13-11-16-6-2-1-3-7-16)14-29-18-10-4-8-17-9-5-12-23-21(17)18/h1-10,12H,11,13-15H2,(H,27,28)