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

Systemtic Name: 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-prop-2-enyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H16N4O3S/c1-2-9-21-14(19-20-17(21)25-11-15(22)23)10-24-13-7-3-5-12-6-4-8-18-16(12)13/h2-8H,1,9-11H2,(H,22,23)