2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32N4OS/c1-2-31-24(16-27-13-18-10-19(14-27)12-20(11-18)15-27)29-30-26(31)33-17-25(32)28-23-9-5-7-21-6-3-4-8-22(21)23/h3-9,18-20H,2,10-17H2,1H3,(H,28,32)