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

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N4O2S/c1-2-26-19(12-22-9-15-6-16(10-22)8-17(7-15)11-22)24-25-21(26)29-14-20(27)23-13-18-4-3-5-28-18/h3-5,15-17H,2,6-14H2,1H3,(H,23,27)