2-[3-propyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-propyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-propyl-5-(8-quinolylmethylsulfanyl)-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-propyl-5-(8-quinolinylmethylthio)-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-propyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-propyl-5-(8-quinolylmethylthio)-1,2,4-triazol-4-yl]acetic acid Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)O)SCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)O)SCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-2-5-14-19-20-17(21(14)10-15(22)23)24-11-13-7-3-6-12-8-4-9-18-16(12)13/h3-4,6-9H,2,5,10-11H2,1H3,(H,22,23)