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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CCN1C(=NN=C1[S-])C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC(C)C

InChI

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