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

Systemtic Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-4-yl-ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-quinolyl)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-quinolinyl)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-4-ylacetamide Traditional Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]thio]-N-(4-quinolyl)acetamide Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=NC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=NC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N5OS/c1-2-9-31-24(26-13-17-10-18(14-26)12-19(11-17)15-26)29-30-25(31)33-16-23(32)28-22-7-8-27-21-6-4-3-5-20(21)22/h2-8,17-19H,1,9-16H2,(H,27,28,32)