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

Systemtic Name: 2-[3-(quinolin-8-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(8-quinolylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-(8-quinolinylmethylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-(quinolin-8-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-(8-quinolylmethylthio)-5-(2-thienyl)-1,2,4-triazol-4-yl]acetic acid Formula: C18H14N4O2S2 MolecularWeight: 382.45936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CSC3=NN=C(N3CC(=O)O)C4=CC=CS4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CSC3=NN=C(N3CC(=O)O)C4=CC=CS4)N=CC=C2

InChI

InChI=1S/C18H14N4O2S2/c23-15(24)10-22-17(14-7-3-9-25-14)20-21-18(22)26-11-13-5-1-4-12-6-2-8-19-16(12)13/h1-9H,10-11H2,(H,23,24)