1-(1-adamantyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=NC(=NN2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(C1)CC2=NC(=NN2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H29N3OS/c24-17(20-9-14-5-15(10-20)7-16(6-14)11-20)12-25-19-21-18(22-23-19)8-13-3-1-2-4-13/h13-16H,1-12H2,(H,21,22,23)