2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC=CC=C4C

InChI

InChI=1S/C23H23N5OS/c1-4-28-21(17-10-6-5-9-15(17)2)26-27-23(28)30-16(3)22(29)25-20-13-7-12-19-18(20)11-8-14-24-19/h5-14,16H,4H2,1-3H3,(H,25,29)