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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-adamantyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-adamantyl)propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-adamantyl)propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-adamantyl)propanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-adamantyl)propionamide Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C5=CC(=CC=C5)NC(=O)C

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C5=CC(=CC=C5)NC(=O)C

InChI

InChI=1S/C23H29N5O2S/c1-14(21(30)26-23-10-16-6-17(11-23)8-18(7-16)12-23)31-22-27-24-13-28(22)20-5-3-4-19(9-20)25-15(2)29/h3-5,9,13-14,16-18H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)