4-ethyl-5-[2-(3-propoxyphenyl)quinolin-4-yl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-ethyl-5-[2-(3-propoxyphenyl)quinolin-4-yl]-1,2,4-triazole-3-thiolate Openeye Name: 4-ethyl-5-[2-(3-propoxyphenyl)-4-quinolyl]-1,2,4-triazole-3-thiolate CAS Name: 4-ethyl-5-[2-(3-propoxyphenyl)-4-quinolinyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-ethyl-5-[2-(3-propoxyphenyl)quinolin-4-yl]-1,2,4-triazole-3-thiolate Traditional Name: 4-ethyl-5-[2-(3-propoxyphenyl)-4-quinolyl]-1,2,4-triazole-3-thiolate Formula: C22H21N4OS- MolecularWeight: 389.49334

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC)[S-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC)[S-]

InChI

InChI=1S/C22H22N4OS/c1-3-12-27-16-9-7-8-15(13-16)20-14-18(17-10-5-6-11-19(17)23-20)21-24-25-22(28)26(21)4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,28)/p-1