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

Systemtic Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5CC5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5CC5

InChI

InChI=1S/C18H25N3OS/c1-21-16(14-2-3-14)19-20-17(21)23-10-15(22)18-7-11-4-12(8-18)6-13(5-11)9-18/h11-14H,2-10H2,1H3