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

Systemtic Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H27N3OS MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5CC5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5CC5

InChI

InChI=1S/C19H27N3OS/c1-2-22-17(15-3-4-15)20-21-18(22)24-11-16(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-15H,2-11H2,1H3