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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

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