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

Systemtic Name: 3-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-allyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-prop-2-enyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-allyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)O)COC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)O)COC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-2-10-22-15(20-21-18(22)26-11-8-16(23)24)12-25-14-7-3-5-13-6-4-9-19-17(13)14/h2-7,9H,1,8,10-12H2,(H,23,24)