5-(phenoxymethyl)-4-quinolin-5-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(phenoxymethyl)-4-quinolin-5-yl-1,2,4-triazole-3-thiolate Openeye Name: 5-(phenoxymethyl)-4-(5-quinolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(phenoxymethyl)-4-(5-quinolinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(phenoxymethyl)-4-quinolin-5-yl-1,2,4-triazole-3-thiolate Traditional Name: 5-(phenoxymethyl)-4-(5-quinolyl)-1,2,4-triazole-3-thiolate Formula: C18H13N4OS- MolecularWeight: 333.38702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC4=C3C=CC=N4)[S-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC4=C3C=CC=N4)[S-]

InChI

InChI=1S/C18H14N4OS/c24-18-21-20-17(12-23-13-6-2-1-3-7-13)22(18)16-10-4-9-15-14(16)8-5-11-19-15/h1-11H,12H2,(H,21,24)/p-1