2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]-N-(isobutylcarbamoyl)acetamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)NCC(C)C)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)NCC(C)C)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H28N6O2S/c1-4-32-24(30-31-26(32)35-16-23(33)29-25(34)27-15-17(2)3)20-14-22(18-10-6-5-7-11-18)28-21-13-9-8-12-19(20)21/h5-14,17H,4,15-16H2,1-3H3,(H2,27,29,33,34)