2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H19N5OS/c1-2-15-7-3-4-11-19(15)26-14-23-25-21(26)28-13-20(27)24-18-10-5-9-17-16(18)8-6-12-22-17/h3-12,14H,2,13H2,1H3,(H,24,27)