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

Systemtic Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-4-yl-ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-quinolyl)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-quinolinyl)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-4-ylacetamide Traditional Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-quinolyl)acetamide Formula: C29H29N5OS MolecularWeight: 495.63846

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC6=CC=NC7=CC=CC=C76

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC6=CC=NC7=CC=CC=C76

InChI

InChI=1S/C29H29N5OS/c35-26(31-25-10-11-30-24-9-5-4-8-23(24)25)18-36-28-33-32-27(34(28)22-6-2-1-3-7-22)29-15-19-12-20(16-29)14-21(13-19)17-29/h1-11,19-21H,12-18H2,(H,30,31,35)