2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-quinolin-8-ylethyl)ethanamide

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-quinolin-8-ylethyl)ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(8-quinolyl)ethyl]acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(8-quinolinyl)ethyl]acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-quinolin-8-ylethyl)acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(8-quinolyl)ethyl]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-29-18-9-7-17(8-10-18)21-25-26-22(30)27(21)14-19(28)23-13-11-16-5-2-4-15-6-3-12-24-20(15)16/h2-10,12H,11,13-14H2,1H3,(H,23,28)(H,26,30)