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

Systemtic Name: N-(1-adamantyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5=CC=CC=C5)C6=CC=CO6

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5=CC=CC=C5)C6=CC=CO6

InChI

InChI=1S/C25H28N4O2S/c1-16(23(30)26-25-13-17-10-18(14-25)12-19(11-17)15-25)32-24-28-27-22(21-8-5-9-31-21)29(24)20-6-3-2-4-7-20/h2-9,16-19H,10-15H2,1H3,(H,26,30)