5-(4-methoxyphenyl)-4-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-methoxyphenyl)-4-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-(3-quinolylamino)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-(3-quinolinylamino)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-(quinolin-3-ylamino)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(3-quinolylamino)ethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C20H16N5O2S- MolecularWeight: 390.43834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NC3=CC4=CC=CC=C4N=C3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NC3=CC4=CC=CC=C4N=C3)[S-]

InChI

InChI=1S/C20H17N5O2S/c1-27-16-8-6-13(7-9-16)19-23-24-20(28)25(19)12-18(26)22-15-10-14-4-2-3-5-17(14)21-11-15/h2-11H,12H2,1H3,(H,22,26)(H,24,28)/p-1