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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-adamantyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-adamantyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(1-adamantyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-adamantyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(1-adamantyl)acetamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6CC6

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6CC6

InChI

InChI=1S/C25H31N5O2S/c1-15(31)26-20-3-2-4-21(10-20)30-23(19-5-6-19)28-29-24(30)33-14-22(32)27-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-4,10,16-19H,5-9,11-14H2,1H3,(H,26,31)(H,27,32)