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

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-quinolin-2-yl-ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-quinolyl)acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-quinolinyl)acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-quinolin-2-ylacetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-quinolyl)acetamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=NC4=CC=CC=C4C=C3

InChI

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